ChemSpider 2D Image | 6-Bromo-4-chloro-2-quinazolinecarboxylic acid | C9H4BrClN2O2

6-Bromo-4-chloro-2-quinazolinecarboxylic acid

  • Molecular FormulaC9H4BrClN2O2
  • Average mass287.497 Da
  • Monoisotopic mass285.914459 Da
  • ChemSpider ID45511012

More details:

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

2-Quinazolinecarboxylic acid, 6-bromo-4-chloro- [ACD/Index Name]
6-Brom-4-chlor-2-chinazolincarbonsäure [German] [ACD/IUPAC Name]
6-Bromo-4-chloro-2-quinazolinecarboxylic acid [ACD/IUPAC Name]
Acide 6-bromo-4-chloro-2-quinazolinecarboxylique [French] [ACD/IUPAC Name]
1397236-22-4 [RN]
6-bromo-4-chloroquinazoline-2-carboxylic acid
6-BROMO-4-CHLORO-QUINAZOLINE-2-CARBOXYLIC ACID
MFCD12024803

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 518.6±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 267.5±30.9 °C
    Index of Refraction: 1.725
    Molar Refractivity: 59.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): -0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 78.1±3.0 dyne/cm
    Molar Volume: 150.7±3.0 cm3

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