ChemSpider 2D Image | 2-(2-Chloro-6-fluorobenzyl)-3-{[(4-fluorophenyl)sulfonyl]amino}-2-methylpropanoic acid | C17H16ClF2NO4S

2-(2-Chloro-6-fluorobenzyl)-3-{[(4-fluorophenyl)sulfonyl]amino}-2-methylpropanoic acid

  • Molecular FormulaC17H16ClF2NO4S
  • Average mass403.828 Da
  • Monoisotopic mass403.045654 Da
  • ChemSpider ID65935872

More details:

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

2-(2-Chlor-6-fluorbenzyl)-3-{[(4-fluorphenyl)sulfonyl]amino}-2-methylpropansäure [German] [ACD/IUPAC Name]
2-(2-Chloro-6-fluorobenzyl)-3-{[(4-fluorophenyl)sulfonyl]amino}-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-(2-chloro-6-fluorobenzyl)-3-{[(4-fluorophényl)sulfonyl]amino}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-chloro-6-fluoro-α-[[[(4-fluorophenyl)sulfonyl]amino]methyl]-α-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 42.52
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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