ChemSpider 2D Image | N-(5-Bromo-2-methylphenyl)-3-cyanobenzamide | C15H11BrN2O

N-(5-Bromo-2-methylphenyl)-3-cyanobenzamide

  • Molecular FormulaC15H11BrN2O
  • Average mass315.165 Da
  • Monoisotopic mass314.005463 Da
  • ChemSpider ID26403980

More details:






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

1157457-17-4 [RN]
Benzamide, N-(5-bromo-2-methylphenyl)-3-cyano- [ACD/Index Name]
N-(5-Brom-2-methylphenyl)-3-cyanbenzamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-methylphenyl)-3-cyanobenzamide [ACD/IUPAC Name]
N-(5-Bromo-2-méthylphényl)-3-cyanobenzamide [French] [ACD/IUPAC Name]
[1157457-17-4] [RN]
6-Bromo-1H-thieno[2,3-d]pyrimidin-4-one
6-Bromothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
AGN-PC-06V4RY
AJ-93917
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 366.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.2±3.0 kJ/mol
    Flash Point: 175.1±27.9 °C
    Index of Refraction: 1.651
    Molar Refractivity: 76.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 3.70
    ACD/BCF (pH 5.5): 380.60
    ACD/KOC (pH 5.5): 2447.40
    ACD/LogD (pH 7.4): 3.70
    ACD/BCF (pH 7.4): 380.59
    ACD/KOC (pH 7.4): 2447.34
    Polar Surface Area: 53 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 61.3±5.0 dyne/cm
    Molar Volume: 210.1±5.0 cm3

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