ChemSpider 2D Image | 3-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzoic acid | C9H8BrClO4S

3-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzoic acid

  • Molecular FormulaC9H8BrClO4S
  • Average mass327.579 Da
  • Monoisotopic mass325.901520 Da
  • ChemSpider ID27487228

More details:

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

120100-05-2 [RN]
3-(Brommethyl)-2-chlor-4-(methylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
3-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzoic acid [ACD/IUPAC Name]
Acide 3-(bromométhyl)-2-chloro-4-(méthylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(bromomethyl)-2-chloro-4-(methylsulfonyl)- [ACD/Index Name]
WS1&R CG DVQ B1E [WLN]
MFCD28100255

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

Density: 1.8±0.1 g/cm3
Boiling Point: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 185.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement