ChemSpider 2D Image | {2-[(2-Chloro-6-fluorophenyl)amino]-5-(~2~H_3_)methyl(~2~H_3_)phenyl}acetic acid | C15H7D6ClFNO2

{2-[(2-Chloro-6-fluorophenyl)amino]-5-(2H3)methyl(2H3)phenyl}acetic acid

  • Molecular FormulaC15H7D6ClFNO2
  • Average mass299.758 Da
  • Monoisotopic mass299.099548 Da
  • ChemSpider ID48060594

  • Non-standard isotope - Non-standard isotope

More details:

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

{2-[(2-Chlor-6-fluorphenyl)amino]-5-(2H3)methyl(2H3)phenyl}essigsäure [German] [ACD/IUPAC Name]
{2-[(2-Chloro-6-fluorophenyl)amino]-5-(2H3)methyl(2H3)phenyl}acetic acid [ACD/IUPAC Name]
Acide {2-[(2-chloro-6-fluorophényl)amino]-5-(2H3)méthyl(2H3)phényl}acétique [French] [ACD/IUPAC Name]
Benzene-2,4,5-d3-acetic acid, 6-[(2-chloro-6-fluorophenyl)amino]-3-(methyl-d3)- [ACD/Index Name]
1225453-72-4 [RN]
2-[2-(2-chloro-6-fluoroanilino)-3,4,6-trideuterio-5-(trideuteriomethyl)phenyl]acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 395.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 193.1±27.9 °C
Index of Refraction: 1.628
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 49.41
ACD/KOC (pH 5.5): 242.33
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 49 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site


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