ChemSpider 2D Image | (2S)-Amino(3,5-dibromo-2-hydroxy-4-methylphenyl)acetic acid | C9H9Br2NO3

(2S)-Amino(3,5-dibromo-2-hydroxy-4-methylphenyl)acetic acid

  • Molecular FormulaC9H9Br2NO3
  • Average mass338.981 Da
  • Monoisotopic mass336.894897 Da
  • ChemSpider ID27466763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(3,5-dibrom-2-hydroxy-4-methylphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-Amino(3,5-dibromo-2-hydroxy-4-methylphenyl)acetic acid [ACD/IUPAC Name]
Acide (2S)-amino(3,5-dibromo-2-hydroxy-4-méthylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-3,5-dibromo-2-hydroxy-4-methyl-, (αS)- [ACD/Index Name]
(S)-2-amino-2-(3,5-dibromo-2-hydroxy-4-methylphenyl)acetic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 431.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.0±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 168.4±3.0 cm3

Click to predict properties on the Chemicalize site


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