ChemSpider 2D Image | (2-Amino-3-{[4-bromo(~2~H_4_)phenyl]carbonyl}phenyl)acetic acid | C15H8D4BrNO3

(2-Amino-3-{[4-bromo(2H4)phenyl]carbonyl}phenyl)acetic acid

  • Molecular FormulaC15H8D4BrNO3
  • Average mass338.189 Da
  • Monoisotopic mass337.025146 Da
  • ChemSpider ID110404793

  • Non-standard isotope - Non-standard isotope

More details:

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

(2-Amino-3-{[4-brom(2H4)phenyl]carbonyl}phenyl)essigsäure [German] [ACD/IUPAC Name]
(2-Amino-3-{[4-bromo(2H4)phenyl]carbonyl}phenyl)acetic acid [ACD/IUPAC Name]
Acide (2-amino-3-{[4-bromo(2H4)phényl]carbonyl}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-amino-3-[(4-bromophenyl-2,3,5,6-d4)carbonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 58.55
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 213.5±3.0 cm3

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