ChemSpider 2D Image | 5-(2-Chlorobenzyl)-2-furoic acid | C12H9ClO3

5-(2-Chlorobenzyl)-2-furoic acid

  • Molecular FormulaC12H9ClO3
  • Average mass236.651 Da
  • Monoisotopic mass236.024017 Da
  • ChemSpider ID15426190

More details:






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

2-Furancarboxylic acid, 5-[(2-chlorophenyl)methyl]- [ACD/Index Name]
5-(2-Chlorbenzyl)-2-furoesäure [German] [ACD/IUPAC Name]
5-(2-Chlorobenzyl)-2-furoic acid [ACD/IUPAC Name]
Acide 5-(2-chlorobenzyl)-2-furoïque [French] [ACD/IUPAC Name]
5-(2-chlorobenzyl)furan-2-carboxylic acid
5-(2-Chloro-benzyl)-furan-2-carboxylic acid
5-[(2-chlorophenyl)methyl]furan-2-carboxylic acid
60907-14-4 [RN]
A18
AGN-PC-000IJJ
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 388.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 188.8±26.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 59.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 4.18
    ACD/KOC (pH 5.5): 22.95
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.84
    Polar Surface Area: 50 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 176.1±3.0 cm3

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