ChemSpider 2D Image | 3-(4-Chlorobenzoyl)isonicotinic acid | C13H8ClNO3

3-(4-Chlorobenzoyl)isonicotinic acid

  • Molecular FormulaC13H8ClNO3
  • Average mass261.660 Da
  • Monoisotopic mass261.019257 Da
  • ChemSpider ID17919864

More details:

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

3-(4-Chlorbenzoyl)isonicotinsäure [German] [ACD/IUPAC Name]
3-(4-Chlorobenzoyl)isonicotinic acid [ACD/IUPAC Name]
3-(4-chlorobenzoyl)pyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 3-(4-chlorobenzoyl)- [ACD/Index Name]
74975-29-4 [RN]
Acide 3-(4-chlorobenzoyl)isonicotinique [French] [ACD/IUPAC Name]
[74975-29-4] [RN]
3-(4-Chloro-benzoyl)-isonicotinic acid
3-(4-CHLORO-BENZOYL)ISONICOTINIC ACID

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

MFCD08445701 [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: 540.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.1±3.0 kJ/mol
    Flash Point: 280.8±28.7 °C
    Index of Refraction: 1.631
    Molar Refractivity: 66.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): -0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 61.6±3.0 dyne/cm
    Molar Volume: 185.3±3.0 cm3

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