ChemSpider 2D Image | 4-Chloro-N-(2-fluorobenzyl)-3-[(methylsulfinyl)methyl]aniline | C15H15ClFNOS

4-Chloro-N-(2-fluorobenzyl)-3-[(methylsulfinyl)methyl]aniline

  • Molecular FormulaC15H15ClFNOS
  • Average mass311.802 Da
  • Monoisotopic mass311.054688 Da
  • ChemSpider ID35172828

More details:






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

4-Chlor-N-(2-fluorbenzyl)-3-[(methylsulfinyl)methyl]anilin [German] [ACD/IUPAC Name]
4-Chloro-N-(2-fluorobenzyl)-3-[(methylsulfinyl)methyl]aniline [ACD/IUPAC Name]
4-Chloro-N-(2-fluorobenzyl)-3-[(méthylsulfinyl)méthyl]aniline [French] [ACD/IUPAC Name]
Benzenemethanamine, N-[4-chloro-3-[(methylsulfinyl)methyl]phenyl]-2-fluoro- [ACD/Index Name]
4-CHLORO-N-[(2-FLUOROPHENYL)METHYL]-3-(METHANESULFINYLMETHYL)ANILINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 528.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.5±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.44
ACD/KOC (pH 5.5): 1118.11
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.56
ACD/KOC (pH 7.4): 1119.11
Polar Surface Area: 48 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 228.1±3.0 cm3

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