| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 125-290-1 |
2-Fluoro-6-trifluoromethylbenzoic acid, 6-tetradecyl ester
|
|
5 | 311.600 |
| 125-291-0 |
2-Fluoro-6-trifluoromethylbenzoic acid, 3-tetradecyl ester
|
|
5 | 311.600 |
| 125-292-9 |
2-Fluoro-6-trifluoromethylbenzoic acid, 4-tetradecyl ester
|
|
5 | 311.600 |
| 125-293-8 |
2-Fluoro-6-trifluoromethylbenzoic acid, 6-tridecyl ester
|
|
5 | 297.510 |
| 125-295-6 |
2-Fluoro-6-trifluoromethylbenzoic acid, 4-tridecyl ester
|
|
5 | 297.510 |
| 125-296-5 |
2-Fluoro-6-trifluoromethylbenzoic acid, 5-tridecyl ester
|
|
5 | 297.510 |
| 10-037-9 |
Benzenesulfonic acid, 2-amino-5-chloro-4-ethyl-
|
88-56-2 |
4 | 156.000 |
| 10-045-0 |
(CH3)2NC(CH3)=N(CH2)2N(CH3)2
|
|
4 | 149.220 |
| 10-551-8 |
Pyrazine, 3-methyl-5-(2-methylbutyl)-2-(methylthio)
|
|
4 | 178.400 |
| 10-959-6 |
1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone
|
640-06-2 |
4 | 112.820 |
| 11-469-9 |
9H-purine, 6-chloro-9-(beta-d-ribofuranosyl)-
|
5399-87-1 |
4 | 177.620 |
| 11-802-8 |
O-(2,4,5-trichlorophenyl) n,n'-diethyldiamidothiophosphate
|
|
4 | 227.360 |
| 11-878-5 |
1,2-Anhydro-3,4,5,6-alloinositol
|
23559-36-6 |
4 | 94.430 |
| 11-934-2 |
2-(2',3'-epoxy-3'-methylbutyl)-3-methylfuran
|
|
4 | 133.180 |
| 11-951-3 |
5-hydroxy-6-methyl-(2H)-pyran-2-one
|
|
4 | 89.250 |
| 12-312-1 |
5H-Cyclopentapyrazine, 6,7-dihydro-2,5-dimethyl-
|
38917-61-2 |
4 | 123.010 |
| 12-341-9 |
Dibenzofuran, 1,2,3,4,6,8-hexachloro
|
|
4 | 200.870 |
| 13-746-9 |
N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide
|
113-48-4 |
4 | 226.630 |
| 14-129-3 |
Propanamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-
|
1474-02-8 |
4 | 269.900 |
| 14-352-5 |
9H-purine, 6-ethyl-9-(beta-d-ribofuranosyl)-
|
16006-62-5 |
4 | 193.560 |
| 14-556-9 |
Pyrazine, 2-methyl-6-(2-methylbutyl)-3-octyl
|
|
4 | 260.680 |
| 15-289-5 |
2,3,5-TRIMETHYL-6-(2-METHYLBUTYL)PYRAZINE
|
|
4 | 176.140 |
| 15-802-4 |
Nimodipine M (dehydro-desisopropyl-O-desmethyl, methyl ester)
|
|
4 | 279.200 |
| 15-924-9 |
Isosemicarbazide, 3-(9h-purin-6-yl)-3-thio-
|
|
4 | 138.390 |
| 16-801-4 |
O-(2,4,5-trichlorophenyl) n,n'-diphenyldiamidothiophosphate
|
|
4 | 292.560 |
| 17-603-3 |
4-Amino-1-phenylpyrazolo(3,4-e)pyrimidine
|
5334-30-5 |
4 | 153.070 |
| 18-064-1 |
2-ethylthio-3-methyl-5-(2-methylpentyl)pyrazine
|
|
4 | 206.580 |
| 18-092-0 |
N'-(3-fluoro-phenyl)-N,N-dimethyl-acetamidine
|
|
4 | 145.430 |
| 18-379-2 |
1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
|
|
4 | 128.190 |
| 18-641-0 |
N'-(4-bromo-phenyl)-N,N-dimethyl-acetamidine
|
|
4 | 161.160 |
| 19-353-9 |
1,4-dimethyl-3,5-di-t-butylpyrazole
|
|
4 | 194.530 |
| 19-971-3 |
Ergoline-8-methanol, 8,9-didehydro-6-methyl-
|
548-43-6 |
4 | 197.190 |
| 20-727-2 |
N-(5-nitro-2-furoyl)-n'-(isopropylidene) hydrazine
|
13281-50-0 |
4 | 144.640 |
| 20-842-4 |
(E,E)-2,4-Hexadienal, PFBO # 1
|
|
4 | 182.070 |
| 22-160-9 |
Dibenzofuran, 1,2,4,6,7,9-hexachloro
|
|
4 | 200.870 |
| 22-897-2 |
1-Azabicyclo[2.2.2]octane, 2-methyl-
|
|
4 | 111.840 |
| 22-955-7 |
O-(2,4,5-trichlorophenyl) n,n'-dimethyldiamidothiophosphate
|
|
4 | 199.180 |
| 23-125-7 |
[1,2,4]Triazolo[1,5-a]pyrazine
|
399-66-6 |
4 | 82.310 |
| 23-264-3 |
(E,E)-2,4-Heptadienal, PFBO # 1
|
|
4 | 196.160 |
| 23-299-5 |
5Alpha-cycloandrostan-17-one, 6beta-p-nitrobenzamido-3alpha-
|
|
4 | 329.680 |
| 23-416-4 |
L-Alanyl-L-norleucine, N-dimethylaminomethylene-, methyl ester
|
|
4 | 228.680 |
| 24-884-4 |
3,4-Octadiene, 2,2,7,7-tetramethyl-
|
61092-76-0 |
4 | 171.340 |
| 25-380-2 |
3-Methyl-5-(2-methylpentyl)-2-(phenylthio)pyrazine
|
|
4 | 239.180 |
| 26-190-2 |
3-(4-Hydroxyanilino)-2-benzofuran-1(3h)-one
|
107558-84-9 |
4 | 173.030 |
| 28-104-5 |
Dibenzofuran, 1,2,3,6,7,8-hexachloro
|
|
4 | 200.870 |
| 28-256-7 |
O-propyl o-(2,4,5-trichlorophenyl) amidothiophosphate
|
|
4 | 209.160 |
| 28-488-0 |
1H-pyrrolo[2,1-c]-1,4-thiazine
|
|
4 | 101.200 |
| 29-011-7 |
Isonipecotic acid, N-(2,5-difluorobenzoyl)-, ethyl ester
|
|
4 | 210.120 |
| 29-264-7 |
2,6-Pyridinedicarboxylic acid, di(2-pentyl) ester
|
|
4 | 251.490 |
| 29-775-0 |
Tetrahydrothiophen-3-one, 2-methyl, PFBO # 2
|
|
4 | 182.070 |
| 31-180-7 |
N''-Pentyl-N,N,N',N'-tetramethyl -guanidine
|
|
4 | 177.400 |
| 31-551-5 |
O-isopropyl o-(2,4,5-trichlorophenyl) amidothiophosphate
|
|
4 | 209.160 |
| 32-557-8 |
1-azabicyclo[2.2.2]-octane, 2-cyano
|
90196-91-1 |
4 | 113.220 |
| 32-683-8 |
3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic acid
|
18039-58-2 |
4 | 337.690 |
| 32-809-8 |
Glutaramic acid, 2-[3-(2-chloroethyl)ureido]-, l(-)
|
13908-05-9 |
4 | 176.340 |
| 32-866-5 |
4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-
|
501-30-4 |
4 | 95.120 |
| 33-535-1 |
O-methyl o-(2,4,6-trichlorophenyl) amidothiophosphate
|
116401-96-8 |
4 | 180.980 |
| 33-568-5 |
Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-
|
33082-80-3 |
4 | 204.040 |
| 34-307-3 |
Acetamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-
|
1237-52-1 |
4 | 255.810 |
| 36-009-2 |
benzo[2,3]fluorantheno[1,12-bcd]thiophene
|
|
4 | 200.850 |
| 36-589-9 |
O-methyl-o-(2,4,5-trichlorophenyl) dimethylamidophosphorothioate
|
93048-35-2 |
4 | 209.160 |
| 36-701-3 |
L(+)-3-amino-4-mercapto-1-butanol
|
|
4 | 99.420 |
| 36-768-0 |
Benzimidazole, 5,6-dichloro-4-nitro-2-(trifluoromethyl)-
|
6609-41-2 |
4 | 151.830 |
| 36-774-3 |
Cyclohexanol, 2-methylene-3-(1-methylethenyl)-, acetate, cis-
|
54824-09-8 |
4 | 167.920 |
| 37-964-1 |
O-methyl-o-(2,4,5-trichlorophenyl) methylphosphoroamidothioate
|
2591-70-0 |
4 | 195.070 |
| 39-374-4 |
2-Methyl-3-amino-4-methoxymethyl-5-aminomethylpyridine
|
35623-09-7 |
4 | 149.720 |
| 39-564-3 |
3,5-Dimethyl-6,7-dihydro-5H-cyclopentapyrazine
|
|
4 | 123.010 |
| 39-879-4 |
Dibenzofuran, 1,2,3,4,7,9-hexachloro
|
|
4 | 200.870 |
| 41-057-3 |
Dibenzofuran, 1,2,3,4,6,7-hexachloro
|
|
4 | 200.870 |
| 41-156-3 |
2-chloro-3-methyl-5-(2-methylpentyl)pyrazine
|
|
4 | 174.290 |
| 41-817-9 |
9H-purine, 2-chloro-9-(beta-d-ribofuranosyl)-
|
|
4 | 177.620 |
| 42-005-9 |
Bicyclo[6.1.0]nonane, 9,9-dibromo-
|
1196-95-8 |
4 | 150.950 |
| 42-109-4 |
Cyclopropane, 3-methoxy-1,1,2,2-tetramethyl-
|
22859-35-4 |
4 | 118.590 |
| 42-625-1 |
1,3-Dioxolane-2-methanol, 2,4-dimethyl-
|
53951-43-2 |
4 | 102.150 |
| 42-628-8 |
Bicyclo[2.2.1]-5-heptene-2-carboxamide
|
|
4 | 109.110 |
| 43-273-1 |
Dibenzofuran, 1,2,3,4,8,9-hexachloro
|
|
4 | 200.870 |
| 43-463-0 |
Acetamide, 2-chloro-N-(2,4,5-trichlorophenyl)-
|
|
4 | 160.330 |
| 44-694-3 |
Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1
|
|
4 | 182.070 |
| 45-512-3 |
(E,E)-2,4-Nonadienal, PFBO # 1
|
|
4 | 224.340 |
| 45-652-8 |
Naphthalene, decahydro-7-isopropenyl-4a-methyl-1-methylene-
|
19069-44-4 |
4 | 191.890 |
| 46-454-7 |
(E,E)-2,4-Heptadienal, PFBO # 2
|
|
4 | 196.160 |
| 46-485-3 |
3-(2-Propynyloxy)-2-benzofuran-1(3h)-one
|
61133-38-8 |
4 | 135.940 |
| 46-641-9 |
Pyridin-4-amine, 3,5-dichloro-2-trichloromethyl-
|
|
4 | 152.800 |
| 47-013-5 |
Pyrazine, 2-methoxy-3-methyl-5-(2-methylpentyl)
|
|
4 | 182.010 |
| 47-221-4 |
Pyrazine, 2-(ethylthio)-3-methyl-5-(2-methylpropyl)
|
|
4 | 178.400 |
| 48-407-7 |
Cyclobutanone, 3-acetoxy-2,2,4,4-tetramethyl-
|
|
4 | 149.910 |
| 48-860-4 |
2,6-Pyridinedicarboxylic acid, di(2-octyl) ester
|
|
4 | 336.030 |
| 50-252-6 |
3-Methyl-2-methoxy-5-(2-methylbutyl)pyrazine
|
|
4 | 167.920 |
| 50-546-0 |
2-ethylthio-3-methyl-5-(2-methylbutyl)pyrazine
|
|
4 | 192.490 |
| 50-720-6 |
O,O-Dimethyl-S-(1,1-difluoroethyl)-dithiophosphate
|
|
4 | 135.660 |
| 50-771-0 |
Benzonitrile, p-(3-butyl-3-methyl-1-triazeno)-
|
|
4 | 183.200 |
| 51-253-4 |
Pyrazine, 2-methoxy-3-methyl-5-(1-methylethyl)
|
|
4 | 139.740 |
| 52-300-0 |
Glutamic acid, n-(2,5-difluoro-4-nitrobenzoyl)-
|
|
4 | 203.570 |
| 52-622-3 |
Pyrazine, 2-chloro-3-methyl-5-(1-methylethyl)
|
|
4 | 132.020 |
| 54-518-7 |
1-Bromo-3-chloro-5,5-dimethyl hydantoin
|
|
4 | 123.290 |
| 54-648-3 |
3-Methyl-5-(2-methylbutyl)-2-(phenylthio)pyrazine
|
|
4 | 225.090 |
| 54-748-2 |
2,3-dihydro-6-methylthieno[2,3c]furan
|
|
4 | 101.390 |
| 54-827-4 |
Benzeneacetonitrile, «alpha»-[(1,3-dioxolan-2-ylmethoxy)imino]-
|
74782-23-3 |
4 | 169.990 |
| 55-424-0 |
N,N-Dimethyl-N'-(3-methylphenyl)-p-methylbenzamidine
|
|
4 | 218.530 |
| 55-545-6 |
3H-1,2-Dithiol-3-one, 5-methyl-
|
3620-08-4 |
4 | 86.330 |
|
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