ChemSpider 2D Image | Methyl (3-bromophenyl)[(1-hydroxy-2-propanyl)sulfanyl]acetate | C12H15BrO3S

Methyl (3-bromophenyl)[(1-hydroxy-2-propanyl)sulfanyl]acetate

  • Molecular FormulaC12H15BrO3S
  • Average mass319.215 Da
  • Monoisotopic mass317.992523 Da
  • ChemSpider ID30401621

More details:

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

(3-Bromophényl)[(1-hydroxy-2-propanyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-bromo-α-[(2-hydroxy-1-methylethyl)thio]-, methyl ester [ACD/Index Name]
Methyl (3-bromophenyl)[(1-hydroxy-2-propanyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-(3-bromphenyl)[(1-hydroxy-2-propanyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
METHYL 2-(3-BROMOPHENYL)-2-[(1-HYDROXYPROPAN-2-YL)SULFANYL]ACETATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 410.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 201.9±27.3 °C
Index of Refraction: 1.579
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.18
ACD/KOC (pH 5.5): 1104.11
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.18
ACD/KOC (pH 7.4): 1104.11
Polar Surface Area: 72 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

Click to predict properties on the Chemicalize site


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