Chemical Properties of Imidazol-5-yl,1-methyl-4-nitro-p-acetamidophenyl,sulfone (CAS 5702-78-3)

Imidazol-5-yl,1-methyl-4-nitro-p-acetamidophenyl,sulfone

InChI
InChI=1S/C12H12N4O5S/c1-8(17)14-9-3-5-10(6-4-9)22(20,21)12-11(16(18)19)13-7-15(12)2/h3-7H,1-2H3,(H,14,17)
InChI Key
WMBLBOVKDMARBZ-UHFFFAOYSA-N
Formula
C12H12N4O5S
SMILES
CC(O)=Nc1ccc(S(=O)(=O)c2c([N+](=O)[O-])ncn2C)cc1
Molecular Weight1
324.31
CAS
5702-78-3
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Physical Properties

Property Value Unit Source
ω 0.9517 Relay (1.0) Calculated Property
ΔfG° 124.33 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -224.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 131.83 kJ/mol Relay (1.0) Calculated Property
IE 8.22 eV Relay (1.0) Calculated Property
log10WS -3.52 Relay (1.0) Calculated Property
logPoct/wat 1.769 Crippen Calculated Property
McVol 213.740 ml/mol McGowan Calculated Property
Pc 2551.47 kPa Relay (1.0-beta) Calculated Property
Tboil 691.68 K Relay (1.0) Calculated Property
Tc 1033.05 K Relay (1.0) Calculated Property
Tfus 488.87 K Relay (1.0) Calculated Property
Vc 0.747 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

azadirachtin. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Benazepril Me. Tazettine. Methysergide. Heptafluorobutyryl-codeine. 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 Imidazol-5-yl,1-methyl-4-nitro-p-acetamidophenyl,sulfone.

Sources

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