ChemSpider 2D Image | (4S)-4-(4-Bromophenyl)-6-methyl-4,5-dihydro-1,5-benzoxazepin-2(3H)-one | C16H14BrNO2

(4S)-4-(4-Bromophenyl)-6-methyl-4,5-dihydro-1,5-benzoxazepin-2(3H)-one

  • Molecular FormulaC16H14BrNO2
  • Average mass332.192 Da
  • Monoisotopic mass331.020782 Da
  • ChemSpider ID30658902

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(4-Bromophenyl)-6-methyl-4,5-dihydro-1,5-benzoxazepin-2(3H)-one [ACD/IUPAC Name]
(4S)-4-(4-Bromophényl)-6-méthyl-4,5-dihydro-1,5-benzoxazépin-2(3H)-one [French] [ACD/IUPAC Name]
(4S)-4-(4-Bromphenyl)-6-methyl-4,5-dihydro-1,5-benzoxazepin-2(3H)-on [German] [ACD/IUPAC Name]
1,5-Benzoxazepin-2(3H)-one, 4-(4-bromophenyl)-4,5-dihydro-6-methyl-, (4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 227.9±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.88
ACD/KOC (pH 5.5): 2125.83
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.55
ACD/KOC (pH 7.4): 2130.37
Polar Surface Area: 38 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


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