ChemSpider 2D Image | 2-(Bromomethyl)chroman | C10H11BrO

2-(Bromomethyl)chroman

  • Molecular FormulaC10H11BrO
  • Average mass227.098 Da
  • Monoisotopic mass225.999313 Da
  • ChemSpider ID21109080

More details:

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

2-(bromomethyl)-3,4-dihydro-2H-1-benzopyran
2-(Bromomethyl)chroman
852181-00-1 [RN]
[852181-00-1] [RN]
2-(bromomethyl)-3,4-dihydro-2H-chromene
2-(Bromomethyl)-3,4-dihydro-2H-chromene, 2-(Bromomethyl)-3,4-dihydro-2H-1-benzopyran
2-(Bromomethyl)-3,4-dihydro-2H-chromene; 2-(Bromomethyl)-3,4-dihydro-2H-1-benzopyran
2-(Bromomethyl)chromane [ACD/IUPAC Name]
2-BROMOMETHYL-3,4-DIHYDRO-2H-CHROMEN
2-Bromomethylchroman
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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: 300.6±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.9±3.0 kJ/mol
    Flash Point: 118.7±20.4 °C
    Index of Refraction: 1.563
    Molar Refractivity: 52.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.49
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 254.02
    ACD/KOC (pH 5.5): 1832.37
    ACD/LogD (pH 7.4): 3.47
    ACD/BCF (pH 7.4): 254.02
    ACD/KOC (pH 7.4): 1832.37
    Polar Surface Area: 9 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 161.6±3.0 cm3

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