ChemSpider 2D Image | (2-{2-[(2,6-Dichlorophenyl)amino](~2~H_4_)phenyl}acetoxy)acetic acid | C16H9D4Cl2NO4

(2-{2-[(2,6-Dichlorophenyl)amino](2H4)phenyl}acetoxy)acetic acid

  • Molecular FormulaC16H9D4Cl2NO4
  • Average mass358.209 Da
  • Monoisotopic mass357.047272 Da
  • ChemSpider ID30773413
  • Non-standard isotope - Non-standard isotope


More details:






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

(2-{2-[(2,6-Dichlorophenyl)amino](2H4)phenyl}acetoxy)acetic acid [ACD/IUPAC Name]
(2-{2-[(2,6-Dichlorphenyl)amino](2H4)phenyl}acetoxy)essigsäure [German] [ACD/IUPAC Name]
Acide (2-{2-[(2,6-dichlorophényl)amino](2H4)phényl}acétoxy)acétique [French] [ACD/IUPAC Name]
Benzene-2,3,4,5-d4-acetic acid, 6-[(2,6-dichlorophenyl)amino]-, carboxymethyl ester [ACD/Index Name]
2-[2-(2,6-Dichloroanilino)phenylacetoxy]acetic acid
Aceclofenac-d4 (phenyl-d4-acetoxy)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 243.3±3.0 cm3

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