ChemSpider 2D Image | 6-{[(2,3,6-Trichlorobenzyl)sulfinyl]acetyl}-2H-1,4-benzoxazin-3(4H)-one | C17H12Cl3NO4S

6-{[(2,3,6-Trichlorobenzyl)sulfinyl]acetyl}-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC17H12Cl3NO4S
  • Average mass432.706 Da
  • Monoisotopic mass430.955261 Da
  • ChemSpider ID59372689

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[2-[[(2,3,6-trichlorophenyl)methyl]sulfinyl]acetyl]- [ACD/Index Name]
6-{[(2,3,6-Trichlorbenzyl)sulfinyl]acetyl}-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-{[(2,3,6-Trichlorobenzyl)sulfinyl]acetyl}-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-{2-[(2,3,6-Trichlorobenzyl)sulfinyl]acétyl}-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.43
ACD/KOC (pH 5.5): 1496.46
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.43
ACD/KOC (pH 7.4): 1496.44
Polar Surface Area: 92 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 273.9±3.0 cm3

Click to predict properties on the Chemicalize site


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