ChemSpider 2D Image | 7-Chloro-6-methyl-2H-1,4-benzoxazin-3(4H)-one | C9H8ClNO2

7-Chloro-6-methyl-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC9H8ClNO2
  • Average mass197.618 Da
  • Monoisotopic mass197.024353 Da
  • ChemSpider ID23041487

More details:

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

1185320-25-5 [RN]
2H-1,4-Benzoxazin-3(4H)-one, 7-chloro-6-methyl- [ACD/Index Name]
7-Chlor-6-methyl-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
7-chloro-6-methyl-2,4-dihydro-1,4-benzoxazin-3-one
7-Chloro-6-methyl-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
7-Chloro-6-méthyl-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
7-Chloro-6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
7-chloro-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
7-chloro-6-methyl-4H-1,4-benzoxazin-3-one
MFCD12827490 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 370.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.8±27.9 °C
    Index of Refraction: 1.571
    Molar Refractivity: 48.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 32.48
    ACD/KOC (pH 5.5): 420.36
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 32.48
    ACD/KOC (pH 7.4): 420.36
    Polar Surface Area: 38 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 148.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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