ChemSpider 2D Image | 6-[(4-Bromophenyl)amino]-4,4-bis(4-chlorophenyl)-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one | C27H19BrCl2N2O2

6-[(4-Bromophenyl)amino]-4,4-bis(4-chlorophenyl)-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC27H19BrCl2N2O2
  • Average mass554.262 Da
  • Monoisotopic mass552.000671 Da
  • ChemSpider ID9459302

More details:

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

2H-3,1-Benzoxazin-2-one, 6-[(4-bromophenyl)amino]-4,4-bis(4-chlorophenyl)-1,4-dihydro-1-methyl- [ACD/Index Name]
6-[(4-Bromophenyl)amino]-4,4-bis(4-chlorophenyl)-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
6-[(4-Bromophényl)amino]-4,4-bis(4-chlorophényl)-1-méthyl-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
6-[(4-Bromphenyl)amino]-4,4-bis(4-chlorphenyl)-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 377369.66
ACD/KOC (pH 5.5): 341517.47
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 377399.47
ACD/KOC (pH 7.4): 341544.47
Polar Surface Area: 42 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 367.8±3.0 cm3

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