ChemSpider 2D Image | 4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid | C17H14ClN3O2

4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid

  • Molecular FormulaC17H14ClN3O2
  • Average mass327.765 Da
  • Monoisotopic mass327.077454 Da
  • ChemSpider ID21804180

More details:

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

4-[5-Amino-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-1-yl]benzoic acid [ACD/IUPAC Name]
4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid
4-[5-Amino-4-(4-chlorphenyl)-3-methyl-1H-pyrazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
895032-59-4 [RN]
Acide 4-[5-amino-4-(4-chlorophényl)-3-méthyl-1H-pyrazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-amino-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-1-yl]- [ACD/Index Name]
4-(5-Amino-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-1-yl)benzoic acid
RS-0386

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

MFCD06135692 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 527.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.4±3.0 kJ/mol
    Flash Point: 272.6±30.1 °C
    Index of Refraction: 1.671
    Molar Refractivity: 88.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 15.60
    ACD/KOC (pH 5.5): 79.95
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.06
    Polar Surface Area: 81 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 54.1±7.0 dyne/cm
    Molar Volume: 236.0±7.0 cm3

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