ChemSpider 2D Image | 4-Chloro-2-{[(4-isopropylbenzyl)sulfonyl]methyl}-1-methoxybenzene | C18H21ClO3S

4-Chloro-2-{[(4-isopropylbenzyl)sulfonyl]methyl}-1-methoxybenzene

  • Molecular FormulaC18H21ClO3S
  • Average mass352.875 Da
  • Monoisotopic mass352.089996 Da
  • ChemSpider ID30049089

More details:

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

4-Chlor-2-{[(4-isopropylbenzyl)sulfonyl]methyl}-1-methoxybenzol [German] [ACD/IUPAC Name]
4-Chloro-2-{[(4-isopropylbenzyl)sulfonyl]methyl}-1-methoxybenzene [ACD/IUPAC Name]
4-Chloro-2-{[(4-isopropylbenzyl)sulfonyl]méthyl}-1-méthoxybenzène [French] [ACD/IUPAC Name]
Benzene, 4-chloro-1-methoxy-2-[[[[4-(1-methylethyl)phenyl]methyl]sulfonyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 858.82
ACD/KOC (pH 5.5): 4382.14
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 858.82
ACD/KOC (pH 7.4): 4382.14
Polar Surface Area: 52 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 290.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement