ChemSpider 2D Image | Methyl 5-bromo-7-oxo-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate | C12H9BrO4

Methyl 5-bromo-7-oxo-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate

  • Molecular FormulaC12H9BrO4
  • Average mass297.102 Da
  • Monoisotopic mass295.968414 Da
  • ChemSpider ID35485910

More details:

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

1399660-68-4 [RN]
5-Bromo-7-oxo-7,7a-dihydrocyclopropa[b]chromène-1a(1H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopropa[b][1]benzopyran-1a(1H)-carboxylic acid, 5-bromo-7,7a-dihydro-7-oxo-, methyl ester [ACD/Index Name]
Methyl 5-bromo-7-oxo-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-1a-carboxylate
Methyl 5-bromo-7-oxo-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate [ACD/IUPAC Name]
Methyl-5-brom-7-oxo-7,7a-dihydrocyclopropa[b]chromen-1a(1H)-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-2-oxo-1a,2-dihydro-1H-7-oxa-cyclopropa[b]naphthalene-7a-carboxylic acid methyl ester
methyl 5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
MFCD22421025

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 399.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 195.6±27.9 °C
    Index of Refraction: 1.636
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.39
    ACD/KOC (pH 5.5): 559.18
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.39
    ACD/KOC (pH 7.4): 559.18
    Polar Surface Area: 53 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 171.1±3.0 cm3

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