ChemSpider 2D Image | 3-Bromo-N-[(4-fluorophenyl)acetyl]-L-phenylalanine | C17H15BrFNO3

3-Bromo-N-[(4-fluorophenyl)acetyl]-L-phenylalanine

  • Molecular FormulaC17H15BrFNO3
  • Average mass380.208 Da
  • Monoisotopic mass379.021942 Da
  • ChemSpider ID24978262

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Brom-N-[(4-fluorphenyl)acetyl]-L-phenylalanin [German] [ACD/IUPAC Name]
3-Bromo-N-[(4-fluorophenyl)acetyl]-L-phenylalanine [ACD/IUPAC Name]
3-Bromo-N-[2-(4-fluorophényl)acétyl]-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 3-bromo-N-[2-(4-fluorophenyl)acetyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.8±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.66
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement