ChemSpider 2D Image | (2E)-4-[(Chloroacetyl)amino]-4-oxo-2-butenoic acid | C6H6ClNO4

(2E)-4-[(Chloroacetyl)amino]-4-oxo-2-butenoic acid

  • Molecular FormulaC6H6ClNO4
  • Average mass191.569 Da
  • Monoisotopic mass190.998535 Da
  • ChemSpider ID61838269

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(Chloracetyl)amino]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-[(Chloroacetyl)amino]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4-[(2-chloroacetyl)amino]-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-[(2-chloroacétyl)amino]-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
15059-27-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 411.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 202.8±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 130.3±3.0 cm3

Click to predict properties on the Chemicalize site


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