ChemSpider 2D Image | 2-{[(2E)-2-Cyano-3-{3-[(2,4-dichlorobenzoyl)amino]phenyl}-2-propenoyl]amino}benzoic acid | C24H15Cl2N3O4

2-{[(2E)-2-Cyano-3-{3-[(2,4-dichlorobenzoyl)amino]phenyl}-2-propenoyl]amino}benzoic acid

  • Molecular FormulaC24H15Cl2N3O4
  • Average mass480.300 Da
  • Monoisotopic mass479.043976 Da
  • ChemSpider ID24443688

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-2-Cyan-3-{3-[(2,4-dichlorbenzoyl)amino]phenyl}-2-propenoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[(2E)-2-Cyano-3-{3-[(2,4-dichlorobenzoyl)amino]phenyl}-2-propenoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2E)-2-cyano-3-{3-[(2,4-dichlorobenzoyl)amino]phényl}-2-propenoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2E)-2-cyano-3-[3-[(2,4-dichlorobenzoyl)amino]phenyl]-1-oxo-2-propen-1-yl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 77.89
ACD/KOC (pH 5.5): 222.86
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 119 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

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