Found 4 results

Search term: DATA_SOURCE in ('Todd Group')
ChemSpider 2D Image | Ethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate | C15H16FNO2

Ethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC15H16FNO2
  • Average mass261.291 Da
  • Monoisotopic mass261.116516 Da
  • ChemSpider ID26285324

More details:

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

1-(4-Fluorophényl)-2,5-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-(4-fluorophenyl)-2,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2113924/
OSM-S-03

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 169.9±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 72.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 901.85
ACD/KOC (pH 5.5): 4538.23
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 901.85
ACD/KOC (pH 7.4): 4538.23
Polar Surface Area: 31 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 34.1±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement