ChemSpider 2D Image | Methyl 2-chloro-4-benzoxazolecarboxylate | C9H6ClNO3

Methyl 2-chloro-4-benzoxazolecarboxylate

  • Molecular FormulaC9H6ClNO3
  • Average mass211.602 Da
  • Monoisotopic mass211.003616 Da
  • ChemSpider ID26404009

More details:

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

1007112-35-7 [RN]
2-Chloro-1,3-benzoxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Benzoxazolecarboxylic acid, 2-chloro-, methyl ester [ACD/Index Name]
Methyl 2-chloro-1,3-benzoxazole-4-carboxylate [ACD/IUPAC Name]
Methyl 2-chloro-4-benzoxazolecarboxylate
Methyl 2-chlorobenzo[d]oxazole-4-carboxylate
Methyl-2-chlor-1,3-benzoxazol-4-carboxylat [German] [ACD/IUPAC Name]
[1007112-35-7] [RN]
'1007112-35-7 [EINECS]
2-chloro-benzooxazole-4-carboxylic acid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 287.8±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.7±3.0 kJ/mol
    Flash Point: 127.9±19.8 °C
    Index of Refraction: 1.601
    Molar Refractivity: 51.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 35.04
    ACD/KOC (pH 5.5): 443.85
    ACD/LogD (pH 7.4): 2.34
    ACD/BCF (pH 7.4): 35.04
    ACD/KOC (pH 7.4): 443.85
    Polar Surface Area: 52 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 149.4±3.0 cm3

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