ChemSpider 2D Image | Ethyl 5'-amino-4,4''-dichloro-4',6'-dicyano-1,1':2',1''-terphenyl-3'-carboxylate | C23H15Cl2N3O2

Ethyl 5'-amino-4,4''-dichloro-4',6'-dicyano-1,1':2',1''-terphenyl-3'-carboxylate

  • Molecular FormulaC23H15Cl2N3O2
  • Average mass436.290 Da
  • Monoisotopic mass435.054138 Da
  • ChemSpider ID21118629

More details:

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

[1,1':2',1''-Terphenyl]-3'-carboxylic acid, 5'-amino-4,4''-dichloro-4',6'-dicyano-, ethyl ester [ACD/Index Name]
5'-Amino-4,4''-dichloro-4',6'-dicyano-1,1':2',1''-terphényl-3'-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5'-amino-4,4''-dichloro-4',6'-dicyano-1,1':2',1''-terphenyl-3'-carboxylate [ACD/IUPAC Name]
1022982-66-6 [RN]
ETHYL 3-AMINO-2,4-DICYANO-5,6-DI(4-CHLOROPHENYL)BENZOLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10823.66
ACD/KOC (pH 5.5): 26877.83
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10823.66
ACD/KOC (pH 7.4): 26877.83
Polar Surface Area: 100 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 304.8±5.0 cm3

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