ChemSpider 2D Image | (2Z)-7-Chloro-2-(methylimino)-5-(~2~H_5_)phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-ol | C16H9D5ClN3O

(2Z)-7-Chloro-2-(methylimino)-5-(2H5)phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-ol

  • Molecular FormulaC16H9D5ClN3O
  • Average mass304.786 Da
  • Monoisotopic mass304.113922 Da
  • ChemSpider ID128943335

  • Non-standard isotope - Non-standard isotope

More details:

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

(2Z)-7-Chlor-2-(methylimino)-5-(2H5)phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-ol [German] [ACD/IUPAC Name]
(2Z)-7-Chloro-2-(methylimino)-5-(2H5)phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-ol [ACD/IUPAC Name]
(2Z)-7-Chloro-2-(méthylimino)-5-(2H5)phényl-2,3-dihydro-4H-1,4-benzodiazépin-4-ol [French] [ACD/IUPAC Name]
Methanamine, N-[(2Z)-7-chloro-3,4-dihydro-4-hydroxy-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-ylidene]- [ACD/Index Name]
65891-81-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.6±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 28.22
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 7.88
ACD/KOC (pH 7.4): 101.50
Polar Surface Area: 48 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 230.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement