ChemSpider 2D Image | 2-(Boc-amino)-4-bromothiophene | C9H12BrNO2S

2-(Boc-amino)-4-bromothiophene

  • Molecular FormulaC9H12BrNO2S
  • Average mass278.166 Da
  • Monoisotopic mass276.977203 Da
  • ChemSpider ID24598284

More details:

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

(4-Bromo-2-thiényl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-(Boc-amino)-4-bromothiophene
2-Methyl-2-propanyl (4-bromo-2-thienyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-brom-2-thienyl)carbamat [German] [ACD/IUPAC Name]
868387-45-5 [RN]
Carbamic acid, N-(4-bromo-2-thienyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (4-bromo-2-thienyl)carbamate
??tert-butyl (4-bromothiophen-2-yl)carbamate
[868387-45-5] [RN]
97%
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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: 1.5±0.1 g/cm3
    Boiling Point: 279.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.8±3.0 kJ/mol
    Flash Point: 122.7±23.2 °C
    Index of Refraction: 1.591
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 340.17
    ACD/KOC (pH 5.5): 2258.34
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 340.17
    ACD/KOC (pH 7.4): 2258.33
    Polar Surface Area: 67 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 184.1±3.0 cm3

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