ChemSpider 2D Image | 2,4-Dibromo-6-{[(2-chlorobenzoyl)amino]methyl}phenyl 2-methylbenzoate | C22H16Br2ClNO3

2,4-Dibromo-6-{[(2-chlorobenzoyl)amino]methyl}phenyl 2-methylbenzoate

  • Molecular FormulaC22H16Br2ClNO3
  • Average mass537.628 Da
  • Monoisotopic mass534.918518 Da
  • ChemSpider ID1679261

More details:

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

2,4-Dibrom-6-{[(2-chlorbenzoyl)amino]methyl}phenyl-2-methylbenzoat [German] [ACD/IUPAC Name]
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
2,4-Dibromo-6-{[(2-chlorobenzoyl)amino]methyl}phenyl 2-methylbenzoate [ACD/IUPAC Name]
2-Méthylbenzoate de 2,4-dibromo-6-{[(2-chlorobenzoyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Benzoic acid, 2-methyl-, 2,4-dibromo-6-[[(2-chlorobenzoyl)amino]methyl]phenyl ester [ACD/Index Name]

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

ZINC02891742 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 709.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17911.83
ACD/KOC (pH 5.5): 38546.44
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17911.77
ACD/KOC (pH 7.4): 38546.31
Polar Surface Area: 55 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 334.5±3.0 cm3

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