ChemSpider 2D Image | (2S)-3-Chloro-2-hydroxypropanenitrile | C3H4ClNO

(2S)-3-Chloro-2-hydroxypropanenitrile

  • Molecular FormulaC3H4ClNO
  • Average mass105.523 Da
  • Monoisotopic mass104.998138 Da
  • ChemSpider ID61447039

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Chlor-2-hydroxypropannitril [German] [ACD/IUPAC Name]
(2S)-3-Chloro-2-hydroxypropanenitrile [ACD/IUPAC Name]
(2S)-3-Chloro-2-hydroxypropanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-chloro-2-hydroxy-, (2S)- [ACD/Index Name]
201027-92-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 258.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.7±6.0 kJ/mol
Flash Point: 110.3±21.8 °C
Index of Refraction: 1.462
Molar Refractivity: 22.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.59
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.55
Polar Surface Area: 44 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 80.7±3.0 cm3

Click to predict properties on the Chemicalize site


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