ChemSpider 2D Image | (2S)-3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid | C10H13BrN2O4

(2S)-3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid

  • Molecular FormulaC10H13BrN2O4
  • Average mass305.125 Da
  • Monoisotopic mass304.005859 Da
  • ChemSpider ID48058913

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2-Brom-4,5-dihydroxyphenyl)-2-hydrazino-2-methylpropansäure [German] [ACD/IUPAC Name]
(2S)-3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid [ACD/IUPAC Name]
43197-33-7 [RN]
Acide (2S)-3-(2-bromo-4,5-dihydroxyphényl)-2-hydrazino-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-bromo-α-hydrazinyl-4,5-dihydroxy-α-methyl-, (αS)- [ACD/Index Name]
(2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
(S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
2-Bromo (S)-Carbidopa
Carbidopa, 6-Bromo

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 558.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 291.4±30.1 °C
    Index of Refraction: 1.665
    Molar Refractivity: 65.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 75.8±3.0 dyne/cm
    Molar Volume: 175.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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