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ChemSpider 2D Image | 5-(2-chlorophenyl)-7-ethynyl-1-methyl-3H-1,4-benzodiazepin-2-one | C18H13ClN2O

5-(2-chlorophenyl)-7-ethynyl-1-methyl-3H-1,4-benzodiazepin-2-one

  • Molecular FormulaC18H13ClN2O
  • Average mass308.762 Da
  • Monoisotopic mass308.071655 Da
  • ChemSpider ID19871700

More details:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.0 g/cm3
Boiling Point: 524.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 79.9±0.0 kJ/mol
Flash Point: 271.2±0.0 °C
Index of Refraction: 1.616
Molar Refractivity: 89.9±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.18
ACD/KOC (pH 5.5): 1588.96
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.22
ACD/KOC (pH 7.4): 1589.30
Polar Surface Area: 33 Å2
Polarizability: 35.7±0.0 10-24cm3
Surface Tension: 42.9±0.0 dyne/cm
Molar Volume: 257.2±0.0 cm3

Click to predict properties on the Chemicalize site


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