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Search term: MF = 'C_{11}H_{7}NO_{2}S'
ChemSpider 2D Image | Methyl-7-cyan-1-benzothiophen-2-carboxylat | C11H7NO2S

Methyl-7-cyan-1-benzothiophen-2-carboxylat

  • Molecular FormulaC11H7NO2S
  • Average mass217.244 Da
  • Monoisotopic mass217.019745 Da
  • ChemSpider ID23077475

More details:

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

7-Cyano-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 7-cyano-, methyl ester [ACD/Index Name]
Methyl 7-cyano-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl-7-cyan-1-benzothiophen-2-carboxylat
Methyl-7-cyan-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
550998-65-7 [RN]
Methyl 7-cyanobenzo[b]thiophene-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 382.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.4±22.3 °C
Index of Refraction: 1.646
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.45
ACD/KOC (pH 5.5): 1259.47
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.45
ACD/KOC (pH 7.4): 1259.47
Polar Surface Area: 78 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 160.2±5.0 cm3

Click to predict properties on the Chemicalize site


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