ChemSpider 2D Image | N-(3-{(E)-[3-Bromo-5-(2-chlorobenzyl)-2-hydroxybenzylidene]amino}phenyl)-2-chlorobenzamide | C27H19BrCl2N2O2

N-(3-{(E)-[3-Bromo-5-(2-chlorobenzyl)-2-hydroxybenzylidene]amino}phenyl)-2-chlorobenzamide

  • Molecular FormulaC27H19BrCl2N2O2
  • Average mass554.262 Da
  • Monoisotopic mass552.000671 Da
  • ChemSpider ID22931292

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[3-[[(1E)-[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylene]amino]phenyl]-2-chloro- [ACD/Index Name]
N-(3-{(E)-[3-Brom-5-(2-chlorbenzyl)-2-hydroxybenzyliden]amino}phenyl)-2-chlorbenzamid [German] [ACD/IUPAC Name]
N-(3-{(E)-[3-Bromo-5-(2-chlorobenzyl)-2-hydroxybenzylidene]amino}phenyl)-2-chlorobenzamide [ACD/IUPAC Name]
N-(3-{(E)-[3-Bromo-5-(2-chlorobenzyl)-2-hydroxybenzylidène]amino}phényl)-2-chlorobenzamide [French] [ACD/IUPAC Name]
N-{3-[(E)-({3-BROMO-5-[(2-CHLOROPHENYL)METHYL]-2-HYDROXYPHENYL}METHYLIDENE)AMINO]PHENYL}-2-CHLOROBENZAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 330.1±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 285907.41
ACD/KOC (pH 5.5): 279842.22
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 270829.72
ACD/KOC (pH 7.4): 265084.41
Polar Surface Area: 62 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 387.9±7.0 cm3

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