ChemSpider 2D Image | tert-Butyl (6-bromobenzo[d]isoxazol-3-yl)carbamate | C12H13BrN2O3

tert-Butyl (6-bromobenzo[d]isoxazol-3-yl)carbamate

  • Molecular FormulaC12H13BrN2O3
  • Average mass313.147 Da
  • Monoisotopic mass312.010956 Da
  • ChemSpider ID57421258

More details:

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

(6-Bromo-1,2-benzoxazol-3-yl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-(6-bromo-1,2-benzisoxazol-3-yl)carbamate
1214899-76-9 [RN]
2-Methyl-2-propanyl (6-bromo-1,2-benzoxazol-3-yl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6-brom-1,2-benzoxazol-3-yl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(6-bromo-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (6-bromobenzo[d]isoxazol-3-yl)carbamate
MFCD23097402
N1=C(c2c(cc(cc2)Br)O1)NC(=O)OC(C)(C)C
t-Butyl 6-bromobenzo[d]isoxazol-3-ylcarbamate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 368.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.5±3.0 kJ/mol
    Flash Point: 176.7±22.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 72.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.71
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 155.70
    ACD/KOC (pH 5.5): 1290.75
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 155.58
    ACD/KOC (pH 7.4): 1289.75
    Polar Surface Area: 64 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 204.8±3.0 cm3

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