ChemSpider 2D Image | 5-(4-Chlorophenyl)-7-iodo-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12ClIN2O

5-(4-Chlorophenyl)-7-iodo-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12ClIN2O
  • Average mass410.637 Da
  • Monoisotopic mass409.968262 Da
  • ChemSpider ID23156759

More details:

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

2H-1,4-Benzodiazepin-2-one, 5-(4-chlorophenyl)-1,3-dihydro-7-iodo-1-methyl- [ACD/Index Name]
5-(4-Chlorophenyl)-7-iodo-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
5-(4-Chlorophényl)-7-iodo-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-7-iod-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
5-(4-Chloro-phenyl)-7-iodo-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL293009/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 543.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.6±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.77
ACD/KOC (pH 5.5): 1606.88
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.59
ACD/KOC (pH 7.4): 1613.07
Polar Surface Area: 33 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

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