ChemSpider 2D Image | 3-bromo-5-(tosylmethyl)pyridine | C13H12BrNO2S

3-bromo-5-(tosylmethyl)pyridine

  • Molecular FormulaC13H12BrNO2S
  • Average mass326.209 Da
  • Monoisotopic mass324.977203 Da
  • ChemSpider ID26528628

More details:

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

3-Brom-5-{[(4-methylphenyl)sulfonyl]methyl}pyridin [German] [ACD/IUPAC Name]
3-bromo-5-(tosylmethyl)pyridine
3-Bromo-5-{[(4-methylphenyl)sulfonyl]methyl}pyridine [ACD/IUPAC Name]
3-Bromo-5-{[(4-méthylphényl)sulfonyl]méthyl}pyridine [French] [ACD/IUPAC Name]
866021-35-4 [RN]
Pyridine, 3-bromo-5-[[(4-methylphenyl)sulfonyl]methyl]- [ACD/Index Name]
3-Bromo-5-[(4-methylbenzene-1-sulfonyl)methyl]pyridine
3-BROMO-5-[(4-METHYLBENZENESULFONYL)METHYL]PYRIDINE
3-bromo-5-[(4-methylphenyl)sulfonylmethyl]pyridine
MFCD18207250 [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: 496.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 254.3±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 75.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.42
ACD/KOC (pH 5.5): 600.22
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.44
ACD/KOC (pH 7.4): 600.34
Polar Surface Area: 55 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

Click to predict properties on the Chemicalize site


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