ChemSpider 2D Image | 5-(Chloromethyl)-1-(3,5-difluorophenyl)-1H-1,2,3-triazole | C9H6ClF2N3

5-(Chloromethyl)-1-(3,5-difluorophenyl)-1H-1,2,3-triazole

  • Molecular FormulaC9H6ClF2N3
  • Average mass229.614 Da
  • Monoisotopic mass229.021835 Da
  • ChemSpider ID29201736

More details:

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

1H-1,2,3-Triazole, 5-(chloromethyl)-1-(3,5-difluorophenyl)- [ACD/Index Name]
5-(Chlormethyl)-1-(3,5-difluorphenyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
5-(Chloromethyl)-1-(3,5-difluorophenyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
5-(Chlorométhyl)-1-(3,5-difluorophényl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1338658-67-5 [RN]
5-Chloromethyl-1-(3,5-difluoro-phenyl)-1H-[1,2,3]triazole
MFCD23697019

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

Density: 1.5±0.1 g/cm3
Boiling Point: 353.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.5±30.7 °C
Index of Refraction: 1.600
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.65
ACD/KOC (pH 5.5): 431.20
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.65
ACD/KOC (pH 7.4): 431.20
Polar Surface Area: 31 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 155.8±7.0 cm3

Click to predict properties on the Chemicalize site


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