ChemSpider 2D Image | Methyl 4-bromo-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate | C11H8Br2N2O2

Methyl 4-bromo-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

  • Molecular FormulaC11H8Br2N2O2
  • Average mass360.001 Da
  • Monoisotopic mass357.895233 Da
  • ChemSpider ID25083002

More details:

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

1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(4-bromophenyl)-, methyl ester [ACD/Index Name]
4-Bromo-3-(4-bromophényl)-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-3-(4-bromphenyl)-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
1238340-47-0 [RN]
4-BROMO-5-(4-BROMOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
AKOS015956318
F2130-0137
methyl 4-bromo-5-(4-bromophenyl)-2H-pyrazole-3-carboxylate
MFCD11840243
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 480.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.5±3.0 kJ/mol
    Flash Point: 244.5±28.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 70.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 354.72
    ACD/KOC (pH 5.5): 2326.50
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 331.89
    ACD/KOC (pH 7.4): 2176.79
    Polar Surface Area: 55 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 57.1±3.0 dyne/cm
    Molar Volume: 196.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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