ChemSpider 2D Image | (3-Chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid | C15H11ClN2O3

(3-Chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid

  • Molecular FormulaC15H11ClN2O3
  • Average mass302.712 Da
  • Monoisotopic mass302.045807 Da
  • ChemSpider ID34948971

More details:

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

(3-Chlor-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)essigsäure [German] [ACD/IUPAC Name]
(3-Chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid [ACD/IUPAC Name]
5H-Dibenzo[b,e][1,4]diazepine-8-acetic acid, 3-chloro-10,11-dihydro-11-oxo- [ACD/Index Name]
Acide (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazépin-8-yl)acétique [French] [ACD/IUPAC Name]
Chk1_33
HK8

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

Density: 1.4±0.1 g/cm3
Boiling Point: 461.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 233.1±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 4.30
ACD/KOC (pH 5.5): 40.91
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 211.8±3.0 cm3

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