Chemical Properties of Carfentrazone ethyl (CAS 128639-02-1)

Carfentrazone ethyl

InChI
InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
InChI Key
MLKCGVHIFJBRCD-UHFFFAOYSA-N
Formula
C15H14Cl2F3N3O3
SMILES
CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl
Molecular Weight1
412.19
CAS
128639-02-1
Other Names
  • Benzenepropanoic acid, «alpha»,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-, ethyl ester
  • Ethyl alpha, 2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoate
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Physical Properties

Property Value Unit Source
ω 0.8488 Relay (1.0) Calculated Property
ΔfG° -468.38 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -984.47 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 110.24 kJ/mol Relay (1.0) Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 3.243 Crippen Calculated Property
McVol 252.030 ml/mol McGowan Calculated Property
Pc 1615.27 kPa Relay (1.0-beta) Calculated Property
Inp 2327.00 NIST
Tboil 656.28 K Relay (1.0) Calculated Property
Tc 933.26 K Relay (1.0) Calculated Property
Tfus 410.05 K Relay (1.0) Calculated Property
Vc 0.940 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Carfentrazone ethyl.

Sources

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