ChemSpider 2D Image | (3S)-7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid | C16H11ClN2O3

(3S)-7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid

  • Molecular FormulaC16H11ClN2O3
  • Average mass314.723 Da
  • Monoisotopic mass314.045807 Da
  • ChemSpider ID23311518
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-7-Chlor-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-carbonsäure [German] [ACD/IUPAC Name]
(3S)-7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, (3S)- [ACD/Index Name]
Acide (3S)-7-chloro-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépine-3-carboxylique [French] [ACD/IUPAC Name]
(S)-7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid
189298-40-6 [RN]
23887-31-2 [RN]
245-926-8 [EINECS]
clorazepate [Wiki]
Clorazepic acid [BAN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 563.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 215.2±7.0 cm3

Click to predict properties on the Chemicalize site






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