ChemSpider 2D Image | 3-(Benzyloxy)-4-chloro-2-thiophenecarboxylic acid | C12H9ClO3S

3-(Benzyloxy)-4-chloro-2-thiophenecarboxylic acid

  • Molecular FormulaC12H9ClO3S
  • Average mass268.716 Da
  • Monoisotopic mass267.996094 Da
  • ChemSpider ID35492329

More details:

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

2-Thiophenecarboxylic acid, 4-chloro-3-(phenylmethoxy)- [ACD/Index Name]
3-(Benzyloxy)-4-chlor-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(Benzyloxy)-4-chloro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(benzyloxy)-4-chloro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1708251-01-7 [RN]
3-(Benzyloxy)-4-chlorothiophene-2-carboxylic acid
3-Benzyloxy-4-chloro-thiophene-2-carboxylic acid
4-chloro-3-phenylmethoxythiophene-2-carboxylic acid
MFCD26129537

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 428.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 212.9±27.3 °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: 3.84
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 6.28
    ACD/KOC (pH 5.5): 38.88
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.38
    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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