ChemSpider 2D Image | [1-(3-Chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid | C11H10ClN3O2

[1-(3-Chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid

  • Molecular FormulaC11H10ClN3O2
  • Average mass251.669 Da
  • Monoisotopic mass251.046158 Da
  • ChemSpider ID23363319

More details:

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

[1-(3-Chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid [ACD/IUPAC Name]
[1-(3-Chlorphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]essigsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-acetic acid, 1-(3-chlorophenyl)-5-methyl- [ACD/Index Name]
Acide [1-(3-chlorophényl)-5-méthyl-1H-1,2,3-triazol-4-yl]acétique [French] [ACD/IUPAC Name]
[1-(3-Chloro-phenyl)-5-methyl-1H-[1,2,3]triazol-4-yl]-acetic acid
1017457-61-2 [RN]
2-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid
MFCD10006709 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 64.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.10
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 175.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement