ChemSpider 2D Image | methyl 5-chlorobenzo[d]oxazole-2-carboxylate | C9H6ClNO3

methyl 5-chlorobenzo[d]oxazole-2-carboxylate

  • Molecular FormulaC9H6ClNO3
  • Average mass211.602 Da
  • Monoisotopic mass211.003616 Da
  • ChemSpider ID14882263

More details:

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

27383-92-2 [RN]
2-Benzoxazolecarboxylic acid, 5-chloro-, methyl ester [ACD/Index Name]
methyl 5-chlorobenzo[d]oxazole-2-carboxylate
[27383-92-2] [RN]
5-chloro-benzooxazole-2-carboxylic acid methyl ester
5-Chlorobenzooxazole-2-carboxylic acid methyl ester
DS-17003
Methyl 5-chloro-1,3-benzoxazole-2-carboxylate [ACD/IUPAC Name]
Methyl5-chlorobenzo[d]oxazole-2-carboxylate
MFCD09701307 [MDL number]

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: 309.1±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 140.7±25.7 °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: 2.48
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.07
    ACD/KOC (pH 5.5): 462.10
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.07
    ACD/KOC (pH 7.4): 462.10
    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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