ChemSpider 2D Image | Methyl 6-chloro-3-chromanecarboxylate | C11H11ClO3

Methyl 6-chloro-3-chromanecarboxylate

  • Molecular FormulaC11H11ClO3
  • Average mass226.656 Da
  • Monoisotopic mass226.039673 Da
  • ChemSpider ID15309477

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 6-chloro-3,4-dihydro-, methyl ester [ACD/Index Name]
68281-66-3 [RN]
6-Chloro-3-chromanecarboxylate de méthyle [French] [ACD/IUPAC Name]
6-Chloro-chroman-3-carboxylic acid methyl ester
Methyl 6-chloro-3-chromanecarboxylate [ACD/IUPAC Name]
Methyl-6-chlor-3-chromancarboxylat [German] [ACD/IUPAC Name]
(±)-6-chloro-2,3-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester
[68281-66-3] [RN]
6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester
6-chlorochroman-3-carboxylic acid methyl ester
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 321.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 135.0±26.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.79
    ACD/KOC (pH 5.5): 1114.29
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.79
    ACD/KOC (pH 7.4): 1114.29
    Polar Surface Area: 36 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 176.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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