ChemSpider 2D Image | (2E)-4-[(3,5-Dichlorophenyl)amino]-3-methyl-4-oxo-2-butenoic acid | C11H9Cl2NO3

(2E)-4-[(3,5-Dichlorophenyl)amino]-3-methyl-4-oxo-2-butenoic acid

  • Molecular FormulaC11H9Cl2NO3
  • Average mass274.100 Da
  • Monoisotopic mass272.995941 Da
  • ChemSpider ID22878703

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(3,5-Dichlorophenyl)amino]-3-methyl-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[(3,5-Dichlorphenyl)amino]-3-methyl-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[(3,5-dichlorophenyl)amino]-3-methyl-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-[(3,5-dichlorophényl)amino]-3-méthyl-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
(E)-4-(3,5-DICHLOROANILINO)-3-METHYL-4-OXOBUT-2-ENOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 485.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.3±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.94
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement