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

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

  • Molecular FormulaC9H9Br2NO3
  • Average mass338.981 Da
  • Monoisotopic mass336.894897 Da
  • ChemSpider ID27466765
  • 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-4-methoxyphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-Amino(3,5-dibromo-4-methoxyphenyl)acetic acid [ACD/IUPAC Name]
Acide (2S)-amino(3,5-dibromo-4-méthoxyphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-3,5-dibromo-4-methoxy-, (αS)- [ACD/Index Name]
(S)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)acetic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 434.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.6±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 177.7±3.0 cm3

Click to predict properties on the Chemicalize site






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