ChemSpider 2D Image | 4-(1H-1,2,4-Triazol-1-yl)benzoyl chloride | C9H6ClN3O

4-(1H-1,2,4-Triazol-1-yl)benzoyl chloride

  • Molecular FormulaC9H6ClN3O
  • Average mass207.616 Da
  • Monoisotopic mass207.019943 Da
  • ChemSpider ID24187785

More details:

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

162848-17-1 [RN]
4-(1H-1,2,4-Triazol-1-yl)benzoyl chloride [ACD/IUPAC Name]
4-(1H-1,2,4-Triazol-1-yl)benzoylchlorid [German] [ACD/IUPAC Name]
Benzoyl chloride, 4-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
Benzoyl chloride, 4-(1H-1,2,4-triazol-1-yl)- (9CI)
Chlorure de 4-(1H-1,2,4-triazol-1-yl)benzoyle [French] [ACD/IUPAC Name]
MFCD13174591

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

Density: 1.4±0.1 g/cm3
Boiling Point: 373.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.6±28.4 °C
Index of Refraction: 1.661
Molar Refractivity: 54.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.35
ACD/KOC (pH 5.5): 145.13
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 145.16
Polar Surface Area: 48 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 147.2±7.0 cm3

Click to predict properties on the Chemicalize site


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