ChemSpider 2D Image | 1-(2-Chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid | C12H10ClN3O2

1-(2-Chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid

  • Molecular FormulaC12H10ClN3O2
  • Average mass263.680 Da
  • Monoisotopic mass263.046143 Da
  • ChemSpider ID26053360

More details:

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

1-(2-Chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
1-(2-Chlorphenyl)-5-cyclopropyl-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
1154372-57-2 [RN]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(2-chlorophenyl)-5-cyclopropyl- [ACD/Index Name]
Acide 1-(2-chlorophényl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD12106504 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 519.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 268.1±30.7 °C
Index of Refraction: 1.744
Molar Refractivity: 66.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.81
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 164.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement