ChemSpider 2D Image | (2S)-2-Bromo-1-(3-chloro-2-thienyl)-1-butanone | C8H8BrClOS

(2S)-2-Bromo-1-(3-chloro-2-thienyl)-1-butanone

  • Molecular FormulaC8H8BrClOS
  • Average mass267.570 Da
  • Monoisotopic mass265.916779 Da
  • ChemSpider ID96867795

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Brom-1-(3-chlor-2-thienyl)-1-butanon [German] [ACD/IUPAC Name]
(2S)-2-Bromo-1-(3-chloro-2-thienyl)-1-butanone [ACD/IUPAC Name]
(2S)-2-Bromo-1-(3-chloro-2-thiényl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 2-bromo-1-(3-chloro-2-thienyl)-, (2S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 296.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 133.1±23.2 °C
Index of Refraction: 1.584
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.89
ACD/KOC (pH 5.5): 1219.91
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.89
ACD/KOC (pH 7.4): 1219.91
Polar Surface Area: 45 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 169.0±3.0 cm3

Click to predict properties on the Chemicalize site


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