ChemSpider 2D Image | Methyl 4-amino-5-bromo-2-thiophenecarboxylate | C6H6BrNO2S

Methyl 4-amino-5-bromo-2-thiophenecarboxylate

  • Molecular FormulaC6H6BrNO2S
  • Average mass236.086 Da
  • Monoisotopic mass234.930252 Da
  • ChemSpider ID28420302

More details:

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

2-Thiophenecarboxylic acid, 4-amino-5-bromo-, methyl ester [ACD/Index Name]
4-Amino-5-bromo-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
89499-51-4 [RN]
Methyl 4-amino-5-bromo-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 4-amino-5-bromothiophene-2-carboxylate
Methyl-4-amino-5-brom-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[89499-51-4] [RN]
Methyl4-amino-5-bromothiophene-2-carboxylate
METHYL-4-AMINO-5-BROMOTHIOPHENE-2-CARBOXYLATE
MFCD23135739

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 365.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.2±3.0 kJ/mol
    Flash Point: 174.9±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: 1.86
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.32
    ACD/KOC (pH 5.5): 256.86
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.32
    ACD/KOC (pH 7.4): 256.87
    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


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