ChemSpider 2D Image | 4-[(E)-(3-Bromobenzylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol | C21H15BrN2O2

4-[(E)-(3-Bromobenzylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

  • Molecular FormulaC21H15BrN2O2
  • Average mass407.260 Da
  • Monoisotopic mass406.031677 Da
  • ChemSpider ID21537901

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-(3-Brombenzyliden)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol [German] [ACD/IUPAC Name]
4-[(E)-(3-Bromobenzylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol [ACD/IUPAC Name]
4-[(E)-(3-Bromobenzylidène)amino]-2-(5-méthyl-1,3-benzoxazol-2-yl)phénol [French] [ACD/IUPAC Name]
Phenol, 4-[[(1E)-(3-bromophenyl)methylene]amino]-2-(5-methyl-2-benzoxazolyl)- [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: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3225.12
ACD/KOC (pH 5.5): 11233.26
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1523.35
ACD/KOC (pH 7.4): 5305.90
Polar Surface Area: 59 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 281.4±7.0 cm3

Click to predict properties on the Chemicalize site


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