ChemSpider 2D Image | 2-[(2,3-Dimethylphenyl)(~2~H)amino](O-~2~H)benzoic acid | C15H13D2NO2

2-[(2,3-Dimethylphenyl)(2H)amino](O-2H)benzoic acid

  • Molecular FormulaC15H13D2NO2
  • Average mass243.297 Da
  • Monoisotopic mass243.122833 Da
  • ChemSpider ID95603894

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2,3-Dimethylphenyl)(2H)amino](O-2H)benzoesäure [German] [ACD/IUPAC Name]
2-[(2,3-Dimethylphenyl)(2H)amino](O-2H)benzoic acid [ACD/IUPAC Name]
Acide 2-[(2,3-diméthylphényl)(2H)amino](O-2H)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid-d, 2-[(2,3-dimethylphenyl)amino-d]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 195.0±24.6 °C
Index of Refraction: 1.639
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 115.45
ACD/KOC (pH 5.5): 388.89
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 13.76
Polar Surface Area: 49 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


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