ChemSpider 2D Image | Methyl 3-chloro-4-formylbenzoate | C9H7ClO3

Methyl 3-chloro-4-formylbenzoate

  • Molecular FormulaC9H7ClO3
  • Average mass198.603 Da
  • Monoisotopic mass198.008377 Da
  • ChemSpider ID14756465

More details:

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

3-Chloro-4-formylbenzoate de méthyle [French] [ACD/IUPAC Name]
74733-26-9 [RN]
Benzoic acid, 3-chloro-4-formyl-, methyl ester [ACD/Index Name]
Methyl 3-chloro-4-formylbenzoate [ACD/IUPAC Name]
Methyl-3-chlor-4-formylbenzoat [German] [ACD/IUPAC Name]
[74733-26-9] [RN]
AGN-PC-02N5IG
AK-51472
AKOS016002390
ANW-57229
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 315.8±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 141.0±22.7 °C
    Index of Refraction: 1.572
    Molar Refractivity: 49.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.49
    ACD/KOC (pH 5.5): 474.72
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.49
    ACD/KOC (pH 7.4): 474.72
    Polar Surface Area: 43 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 150.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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