ChemSpider 2D Image | 3-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid | C12H9ClO3S

3-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

  • Molecular FormulaC12H9ClO3S
  • Average mass268.716 Da
  • Monoisotopic mass267.996094 Da
  • ChemSpider ID35493158

More details:

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

2-Thiophenecarboxylic acid, 3-[(2-chlorophenyl)methoxy]- [ACD/Index Name]
3-[(2-Chlorbenzyl)oxy]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-[(2-chlorobenzyl)oxy]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1285223-04-2 [RN]
3-((2-Chlorobenzyl)oxy)thiophene-2-carboxylic acid
3-(2-Chloro-benzyloxy)-thiophene-2-carboxylic acid
3-[(2-chlorophenyl)methoxy]thiophene-2-carboxylic acid
AGN-PC-0FF6XO
AKOS012642983
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 435.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 217.4±25.9 °C
    Index of Refraction: 1.638
    Molar Refractivity: 67.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 5.14
    ACD/KOC (pH 5.5): 32.10
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.25
    Polar Surface Area: 75 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 188.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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