ChemSpider 2D Image | 1-Bromo-3-[(phenylsulfonyl)methyl]benzene | C13H11BrO2S

1-Bromo-3-[(phenylsulfonyl)methyl]benzene

  • Molecular FormulaC13H11BrO2S
  • Average mass311.194 Da
  • Monoisotopic mass309.966309 Da
  • ChemSpider ID24751116

More details:

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

1-Brom-3-[(phenylsulfonyl)methyl]benzol [German] [ACD/IUPAC Name]
1-Bromo-3-[(phenylsulfonyl)methyl]benzene [ACD/IUPAC Name]
1-Bromo-3-[(phénylsulfonyl)méthyl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-3-[(phenylsulfonyl)methyl]- [ACD/Index Name]
{[(3-bromophenyl)methyl]sulfonyl}benzene
1-(benzenesulfonylmethyl)-3-bromobenzene
1-[(Benzenesulfonyl)methyl]-3-bromobenzene
130891-01-9 [RN]
MFCD11840285 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 474.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 240.5±26.5 °C
Index of Refraction: 1.615
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.95
ACD/KOC (pH 5.5): 1177.52
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.95
ACD/KOC (pH 7.4): 1177.52
Polar Surface Area: 43 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 208.1±3.0 cm3

Click to predict properties on the Chemicalize site


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