ChemSpider 2D Image | 3-({[(2,4-Dichloro-3-fluorophenyl)sulfonyl]amino}methyl)pentanoic acid | C12H14Cl2FNO4S

3-({[(2,4-Dichloro-3-fluorophenyl)sulfonyl]amino}methyl)pentanoic acid

  • Molecular FormulaC12H14Cl2FNO4S
  • Average mass358.213 Da
  • Monoisotopic mass357.000458 Da
  • ChemSpider ID51680429

More details:

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

3-({[(2,4-Dichlor-3-fluorphenyl)sulfonyl]amino}methyl)pentansäure [German] [ACD/IUPAC Name]
3-({[(2,4-Dichloro-3-fluorophenyl)sulfonyl]amino}methyl)pentanoic acid [ACD/IUPAC Name]
Acide 3-({[(2,4-dichloro-3-fluorophényl)sulfonyl]amino}méthyl)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[[(2,4-dichloro-3-fluorophenyl)sulfonyl]amino]methyl]- [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: 517.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.0±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 23.64
ACD/KOC (pH 5.5): 169.52
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.66
Polar Surface Area: 92 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 245.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement