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

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

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.