Found 762 results

Search term: MF = 'C_{11}H_{7}NO_{2}S'
ChemSpider 2D Image | Methyl 3-cyano-1-benzothiophene-2-carboxylate | C11H7NO2S

Methyl 3-cyano-1-benzothiophene-2-carboxylate

  • Molecular FormulaC11H7NO2S
  • Average mass217.244 Da
  • Monoisotopic mass217.019745 Da
  • ChemSpider ID21474260

More details:

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

3-Cyano-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-cyano-, methyl ester [ACD/Index Name]
Methyl 3-cyano-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl-3-cyan-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
1172720-85-2 [RN]
Methyl 3-cyanobenzo[b]thiophene-2-carboxylate
methyl-3-cyanobenzo[b]thiophene-2-carboxylate
MFCD03094658 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 407.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.3±24.6 °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: 3.29
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.57
ACD/KOC (pH 5.5): 1193.59
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.57
ACD/KOC (pH 7.4): 1193.59
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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