Found 265 results

Search term: MF = 'C_{14}H_{7}FN_{2}OS'
ChemSpider 2D Image | 3-{5-[(6-Fluoro-3-pyridinyl)ethynyl]-2-thienyl}-3-oxopropanenitrile | C14H7FN2OS

3-{5-[(6-Fluoro-3-pyridinyl)ethynyl]-2-thienyl}-3-oxopropanenitrile

  • Molecular FormulaC14H7FN2OS
  • Average mass270.282 Da
  • Monoisotopic mass270.026306 Da
  • ChemSpider ID108362540

More details:

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

2-Thiophenepropanenitrile, 5-[2-(6-fluoro-3-pyridinyl)ethynyl]-β-oxo- [ACD/Index Name]
3-{5-[(6-Fluor-3-pyridinyl)ethinyl]-2-thienyl}-3-oxopropannitril [German] [ACD/IUPAC Name]
3-{5-[(6-Fluoro-3-pyridinyl)ethynyl]-2-thienyl}-3-oxopropanenitrile [ACD/IUPAC Name]
3-{5-[(6-Fluoro-3-pyridinyl)éthynyl]-2-thiényl}-3-oxopropanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.01
ACD/KOC (pH 5.5): 281.32
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 48.90
Polar Surface Area: 82 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 193.6±5.0 cm3

Click to predict properties on the Chemicalize site


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