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Search term: FBPIGPGDALKJFA-YDZHTSKRSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | {2-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methylphenyl}(phenyl)methanone | C21H16BrNO2

{2-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methylphenyl}(phenyl)methanone

  • Molecular FormulaC21H16BrNO2
  • Average mass394.261 Da
  • Monoisotopic mass393.036438 Da
  • ChemSpider ID21540565
  • Double-bond stereo - Double-bond stereo


More details:






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

{2-[(E)-(5-Brom-2-hydroxybenzyliden)amino]-5-methylphenyl}(phenyl)methanon [German] [ACD/IUPAC Name]
{2-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methylphenyl}(phenyl)methanone [ACD/IUPAC Name]
{2-[(E)-(5-Bromo-2-hydroxybenzylidène)amino]-5-méthylphényl}(phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[[(1E)-(5-bromo-2-hydroxyphenyl)methylene]amino]-5-methylphenyl]phenyl- [ACD/Index Name]
{2-[(5-bromo-2-hydroxybenzylidene)amino]-5-methylphenyl}(phenyl)methanone [ACD/IUPAC Name]
2-[(1E)-[(2-BENZOYL-4-METHYLPHENYL)IMINO]METHYL]-4-BROMOPHENOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18949.55
ACD/KOC (pH 5.5): 40063.02
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 13252.51
ACD/KOC (pH 7.4): 28018.38
Polar Surface Area: 50 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 296.0±7.0 cm3

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