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

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

  • Molecular FormulaC15H15ClFNOS
  • Average mass311.802 Da
  • Monoisotopic mass311.054688 Da
  • ChemSpider ID30383234

More details:






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

Benzenemethanamine, 4-chloro-3-fluoro-N-[3-[(methylsulfinyl)methyl]phenyl]- [ACD/Index Name]
N-(4-Chlor-3-fluorbenzyl)-3-[(methylsulfinyl)methyl]anilin [German] [ACD/IUPAC Name]
N-(4-Chloro-3-fluorobenzyl)-3-[(methylsulfinyl)methyl]aniline [ACD/IUPAC Name]
N-(4-Chloro-3-fluorobenzyl)-3-[(méthylsulfinyl)méthyl]aniline [French] [ACD/IUPAC Name]
N-[(4-CHLORO-3-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: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.2±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: 2.01
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.23
ACD/KOC (pH 5.5): 737.00
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.39
ACD/KOC (pH 7.4): 738.63
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

Click to predict properties on the Chemicalize site






Advertisement