ChemSpider 2D Image | INDOMETHACIN-D4 | C19H12D4ClNO4

INDOMETHACIN-D4

  • Molecular FormulaC19H12D4ClNO4
  • Average mass361.812 Da
  • Monoisotopic mass361.101898 Da
  • ChemSpider ID23936408
  • Non-standard isotope - Non-standard isotope


More details:






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

(1-{[4-Chlor(2H4)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)essigsäure [German] [ACD/IUPAC Name]
(1-{[4-Chloro(2H4)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-[(4-chlorophenyl-2,3,5,6-d4)carbonyl]-5-methoxy-2-methyl- [ACD/Index Name]
87377-08-0 [RN]
Acide (1-{[4-chloro(2H4)phényl]carbonyl}-5-méthoxy-2-méthyl-1H-indol-3-yl)acétique [French] [ACD/IUPAC Name]
INDOMETHACIN-D4
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
1-(4-chlorobenzoyl-2,3,5,6-d4)-5-methoxy-2-methyl-1H-indole-3-acetic acid
2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Indomethacin-d4 (chlorobenzoyl-d4)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.8±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 18.84
ACD/KOC (pH 5.5): 103.31
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
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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