ChemSpider 2D Image | 1-(3-Fluorophenyl)-5-isopropyl-1H-1,2,4-triazole-3-carboxylic acid | C12H12FN3O2

1-(3-Fluorophenyl)-5-isopropyl-1H-1,2,4-triazole-3-carboxylic acid

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID28544167

More details:

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

1-(3-fluorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
1-(3-Fluorophenyl)-5-isopropyl-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
1-(3-Fluorphenyl)-5-isopropyl-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
1154371-22-8 [RN]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-fluorophenyl)-5-(1-methylethyl)- [ACD/Index Name]
Acide 1-(3-fluorophényl)-5-isopropyl-1H-1,2,4-triazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD12106521

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.2±29.3 °C
Index of Refraction: 1.610
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 184.7±7.0 cm3

Click to predict properties on the Chemicalize site


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