ChemSpider 2D Image | (2S)-Bromo(chloro)acetic acid | C2H2BrClO2

(2S)-Bromo(chloro)acetic acid

  • Molecular FormulaC2H2BrClO2
  • Average mass173.393 Da
  • Monoisotopic mass171.892654 Da
  • ChemSpider ID34989181

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Brom(chlor)essigsäure [German] [ACD/IUPAC Name]
(2S)-Bromo(chloro)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-bromo-2-chloro-, (2S)- [ACD/Index Name]
Acide (2S)-bromo(chloro)acétique [French] [ACD/IUPAC Name]
5589-96-8 [RN]
BROMOCHLOROACETIC ACID
UNII-AL8MZ37Y51

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

Density: 2.1±0.1 g/cm3
Boiling Point: 214.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 49.7±6.0 kJ/mol
Flash Point: 83.7±21.8 °C
Index of Refraction: 1.539
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 81.1±3.0 cm3

Click to predict properties on the Chemicalize site


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