ChemSpider 2D Image | 3-(3-Anilino-3-oxo-1-propen-1-yl)-4,6-dichloro-1H-indole-2-carboxylic acid | C18H12Cl2N2O3

3-(3-Anilino-3-oxo-1-propen-1-yl)-4,6-dichloro-1H-indole-2-carboxylic acid

  • Molecular FormulaC18H12Cl2N2O3
  • Average mass375.206 Da
  • Monoisotopic mass374.022491 Da
  • ChemSpider ID28661017

More details:

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

1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[3-oxo-3-(phenylamino)-1-propen-1-yl]- [ACD/Index Name]
3-(3-Anilino-3-oxo-1-propen-1-yl)-4,6-dichlor-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
3-(3-Anilino-3-oxo-1-propen-1-yl)-4,6-dichloro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(3-anilino-3-oxo-1-propén-1-yl)-4,6-dichloro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
(E)-3-[2-(phenylcarbamoyl)ethenyl]-4,6-dichloroindole-2-carboxylic acid
153436-22-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 701.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.775
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 82 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 240.2±3.0 cm3

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