ChemSpider 2D Image | 2-Chloro-4,5-difluoro-L-phenylalanine | C9H8ClF2NO2

2-Chloro-4,5-difluoro-L-phenylalanine

  • Molecular FormulaC9H8ClF2NO2
  • Average mass235.615 Da
  • Monoisotopic mass235.021164 Da
  • ChemSpider ID71648037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Chlor-4,5-difluor-L-phenylalanin [German] [ACD/IUPAC Name]
2-Chloro-4,5-difluoro-L-phenylalanine [ACD/IUPAC Name]
2-Chloro-4,5-difluoro-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 2-chloro-4,5-difluoro- [ACD/Index Name]
(2S)-2-Amino-3-(2-chloro-4,5-difluorophenyl)propanoic acid
1259983-39-5 [RN]
2-Chloro-4,5-difluoro-DL-phenylalanine [ACD/IUPAC Name]
JS-4500

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

Density: 1.5±0.1 g/cm3
Boiling Point: 336.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 157.0±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 157.8±3.0 cm3

Click to predict properties on the Chemicalize site


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