ChemSpider 2D Image | 5-Cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid | C12H10FN3O2

5-Cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC12H10FN3O2
  • Average mass247.225 Da
  • Monoisotopic mass247.075699 Da
  • ChemSpider ID25932314

More details:

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

1096996-62-1 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 5-cyclopropyl-1-(3-fluorophenyl)- [ACD/Index Name]
5-Cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
5-Cyclopropyl-1-(3-fluorphenyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-cyclopropyl-1-(3-fluorophényl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD11540123 [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: 446.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.7±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 158.0±7.0 cm3

Click to predict properties on the Chemicalize site


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