Chemical Properties of 1H-Benzimidazol-2-acetonitrile,«alpha»([4-nitrophenyl]methylene)- (CAS 57319-67-2)

1H-Benzimidazol-2-acetonitrile,«alpha»([4-nitrophenyl]methylene)-

InChI
InChI=1S/C16H10N4O2/c17-10-12(9-11-5-7-13(8-6-11)20(21)22)16-18-14-3-1-2-4-15(14)19-16/h1-9H,(H,18,19)/b12-9+
InChI Key
ZTVALRSSNNLXKO-FMIVXFBMSA-N
Formula
C16H10N4O2
SMILES
N#CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1
Molecular Weight1
290.28
CAS
57319-67-2
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Physical Properties

Property Value Unit Source
ω 0.7457 Relay (1.0) Calculated Property
Δcliquid -8007.80 kJ/mol NIST
Δf 563.19 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 444.12 kJ/mol Relay (1.0) Calculated Property
Δfliquid 282.30 kJ/mol NIST
Δvap 122.90 kJ/mol Relay (1.0) Calculated Property
IE 8.25 eV Relay (1.0) Calculated Property
log10WS -5.21 Relay (1.0) Calculated Property
logPoct/wat 3.053 Crippen Calculated Property
McVol 208.080 ml/mol McGowan Calculated Property
Pc 3560.18 kPa Relay (1.0-beta) Calculated Property
Tboil 699.56 K Relay (1.0) Calculated Property
Tc 1101.07 K Relay (1.0) Calculated Property
Tfus 571.52 K Relay (1.0) Calculated Property
Vc 0.740 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1H-Benzimidazole-2-acetonitrile,«alpha»-(phenylmethylene)-. 1H-Benzimidazol-2-acetonitrile,a-([2-chlorophenyl]methylene)-. Aflatoxin B2. Aflatoxin G2. 21-Hydroxyintergerrimine. ethyl eburnamenine-14-carboxylate. (E)-Eruciflorine. Acetylgynuramine. Epibaptifoline. 5,6-Dihydrouracil riboside, TMS. Tinctorine. Sophoramine. Eruciflorine. Argentamin. Baptifoline.

Find more compounds similar to 1H-Benzimidazol-2-acetonitrile,«alpha»([4-nitrophenyl]methylene)-.

Sources

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