ChemSpider 2D Image | Methyl 3-amino-4-bromo-2-thiophenecarboxylate | C6H6BrNO2S

Methyl 3-amino-4-bromo-2-thiophenecarboxylate

  • Molecular FormulaC6H6BrNO2S
  • Average mass236.086 Da
  • Monoisotopic mass234.930252 Da
  • ChemSpider ID28424981

More details:

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

161833-42-7 [RN]
2-Thiophenecarboxylic acid, 3-amino-4-bromo-, methyl ester [ACD/Index Name]
3-Amino-4-bromo-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-amino-4-bromo-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 3-amino-4-bromothiophene-2-carboxylate
Methyl-3-amino-4-brom-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[161833-42-7] [RN]
3-Amino-4-bromothiophene-2-carboxylic acid methyl ester
3-Amino-4-bromo-thiophene-2-carboxylic acid methyl ester
3-amino-4-bromo-thiophene-2-carboxylicacidmethylester
More...

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: 1.7±0.1 g/cm3
    Boiling Point: 333.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.6±26.5 °C
    Index of Refraction: 1.633
    Molar Refractivity: 48.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.44
    ACD/KOC (pH 5.5): 410.66
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.44
    ACD/KOC (pH 7.4): 410.66
    Polar Surface Area: 81 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 135.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement