ChemSpider 2D Image | 9-Bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid | C12H9BrN2O3

9-Bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid

  • Molecular FormulaC12H9BrN2O3
  • Average mass309.116 Da
  • Monoisotopic mass307.979645 Da
  • ChemSpider ID29363043

More details:

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

1282516-74-8 [RN]
9-Brom-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-carbonsäure [German] [ACD/IUPAC Name]
9-BROMO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE-2-CARBOXYLIC ACID
9-Bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid [ACD/IUPAC Name]
Acide 9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazépine-2-carboxylique [French] [ACD/IUPAC Name]
Imidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid, 9-bromo-5,6-dihydro- [ACD/Index Name]
MFCD25542239

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

Density: 1.8±0.1 g/cm3
Boiling Point: 554.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 169.4±7.0 cm3

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