ChemSpider 2D Image | Methyl (2E)-3-(4-bromo-5-ethyl-2-thienyl)-2-cyanoacrylate | C11H10BrNO2S

Methyl (2E)-3-(4-bromo-5-ethyl-2-thienyl)-2-cyanoacrylate

  • Molecular FormulaC11H10BrNO2S
  • Average mass300.172 Da
  • Monoisotopic mass298.961548 Da
  • ChemSpider ID20059847

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Bromo-5-éthyl-2-thiényl)-2-cyanoacrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-bromo-5-ethyl-2-thienyl)-2-cyano-, methyl ester, (2E)- [ACD/Index Name]
3-(4-Bromo-5-ethyl-thiophen-2-yl)-2-cyano-acrylic acid methyl ester
Methyl (2E)-3-(4-bromo-5-ethyl-2-thienyl)-2-cyanoacrylate [ACD/IUPAC Name]
Methyl-(2E)-3-(4-brom-5-ethyl-2-thienyl)-2-cyanacrylat [German] [ACD/IUPAC Name]
METHYL (2E)-3-(4-BROMO-5-ETHYLTHIOPHEN-2-YL)-2-CYANOPROP-2-ENOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 395.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.1±27.9 °C
Index of Refraction: 1.607
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.83
ACD/KOC (pH 5.5): 1938.62
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.83
ACD/KOC (pH 7.4): 1938.62
Polar Surface Area: 78 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

Click to predict properties on the Chemicalize site


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