ChemSpider 2D Image | 2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid | C15H9N3O2

2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid

  • Molecular FormulaC15H9N3O2
  • Average mass263.251 Da
  • Monoisotopic mass263.069489 Da
  • ChemSpider ID28540756

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Benzimidazole-6-carboxylic acid, 2-(3-cyanophenyl)- [ACD/Index Name]
2-(3-Cyanophenyl)-1H-benzimidazole-5-carboxylic acid [ACD/IUPAC Name]
2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid
2-(3-Cyanphenyl)-1H-benzimidazol-5-carbonsäure [German] [ACD/IUPAC Name]
Acide 2-(3-cyanophényl)-1H-benzimidazole-5-carboxylique [French] [ACD/IUPAC Name]
MFCD20265179 [MDL number]
1097783-82-8 [RN]
2-(3-Cyanophenyl)-1H-benzo[d]imidazole-6-carboxylic acid
2-(3-cyanophenyl)-3H-benzimidazole-5-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 588.4±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.6±31.8 °C
Index of Refraction: 1.744
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 11.98
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 176.8±5.0 cm3

Click to predict properties on the Chemicalize site






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