ChemSpider 2D Image | (2E)-3-Amino-3-chloro-2-cyanoacrylic acid | C4H3ClN2O2

(2E)-3-Amino-3-chloro-2-cyanoacrylic acid

  • Molecular FormulaC4H3ClN2O2
  • Average mass146.532 Da
  • Monoisotopic mass145.988312 Da
  • ChemSpider ID22997185

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Amino-3-chlor-2-cyanacrylsäure [German] [ACD/IUPAC Name]
(2E)-3-Amino-3-chloro-2-cyanoacrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-amino-3-chloro-2-cyano-, (2E)- [ACD/Index Name]
Acide (2E)-3-amino-3-chloro-2-cyanoacrylique [French] [ACD/IUPAC Name]
(2E)-3-amino-3-chloro-2-cyanoprop-2-enoic acid
3-Amino-3-chloro-2-cyano-acrylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 379.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 183.4±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 90.8±3.0 cm3

Click to predict properties on the Chemicalize site


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