ChemSpider 2D Image | (3-{[4-Chloro(~2~H_4_)phenyl]carbonyl}-6-methoxy-2-methyl-1H-indol-1-yl)acetic acid | C19H12D4ClNO4

(3-{[4-Chloro(2H4)phenyl]carbonyl}-6-methoxy-2-methyl-1H-indol-1-yl)acetic acid

  • Molecular FormulaC19H12D4ClNO4
  • Average mass361.812 Da
  • Monoisotopic mass361.101898 Da
  • ChemSpider ID58778454

  • Non-standard isotope - Non-standard isotope

More details:

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

(3-{[4-Chlor(2H4)phenyl]carbonyl}-6-methoxy-2-methyl-1H-indol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(3-{[4-Chloro(2H4)phenyl]carbonyl}-6-methoxy-2-methyl-1H-indol-1-yl)acetic acid [ACD/IUPAC Name]
1H-Indole-1-acetic acid, 3-[(4-chlorophenyl-2,3,5,6-d4)carbonyl]-6-methoxy-2-methyl- [ACD/Index Name]
Acide (3-{[4-chloro(2H4)phényl]carbonyl}-6-méthoxy-2-méthyl-1H-indol-1-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 294.9±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 15.85
ACD/KOC (pH 5.5): 95.68
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 69 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 269.6±7.0 cm3

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