ChemSpider 2D Image | 5-[(5-Chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid | C17H12ClNO5

5-[(5-Chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC17H12ClNO5
  • Average mass345.734 Da
  • Monoisotopic mass345.040405 Da
  • ChemSpider ID26326333

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(5-chloro-2,3-dihydro-2-oxo-1H-indol-1-yl)methyl]- [ACD/Index Name]
5-[(5-Chlor-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(5-Chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)méthyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
CIW

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 650.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.0±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 11.36
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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