ChemSpider 2D Image | Methyl 3-(3-bromo-2-thienyl)-2-propynoate | C8H5BrO2S

Methyl 3-(3-bromo-2-thienyl)-2-propynoate

  • Molecular FormulaC8H5BrO2S
  • Average mass245.093 Da
  • Monoisotopic mass243.919357 Da
  • ChemSpider ID46307401

More details:

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

2-Propynoic acid, 3-(3-bromo-2-thienyl)-, methyl ester [ACD/Index Name]
3-(3-Bromo-2-thiényl)-2-propynoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-bromo-2-thienyl)-2-propynoate [ACD/IUPAC Name]
Methyl-3-(3-brom-2-thienyl)propiolat [German] [ACD/IUPAC Name]
1343106-52-4 [RN]
MFCD20347205

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

Density: 1.7±0.1 g/cm3
Boiling Point: 310.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 141.8±23.7 °C
Index of Refraction: 1.618
Molar Refractivity: 51.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.03
ACD/KOC (pH 5.5): 1071.43
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.03
ACD/KOC (pH 7.4): 1071.43
Polar Surface Area: 55 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 145.6±5.0 cm3

Click to predict properties on the Chemicalize site


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