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CAS No.: | 214262-91-6 |
---|---|
Name: | 1-(3-FLUOROPHENYL)CYCLOHEXANECARBONITRILE, 98 |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C13H14FN |
Molecular Weight: | 203.259 |
Synonyms: | 1-(3-Fluorophenyl)cyclohexanecarbonitrile; |
Density: | 1.09 g/cm3 |
Boiling Point: | 329 °C at 760 mmHg |
Flash Point: | 142.2 °C |
PSA: | 23.79000 |
LogP: | 3.55118 |
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The Cyclohexanecarbonitrile,1-(3-fluorophenyl)-, with the CAS registry number 214262-91-6, is also known as 1-(3-Fluorophenyl)cyclohexanecarbonitrile. This chemical's molecular formula is C13H14FN and molecular weight is 203.2554. What's more, its IUPAC name is 1-(3-Fluorophenyl)cyclohexane-1-carbonitrile.
Physical properties about Cyclohexanecarbonitrile,1-(3-fluorophenyl)- are: (1) ACD/LogP: 3.28; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 23.79 Å2; (7) Index of Refraction: 1.529; (8) Molar Refractivity: 57.18 cm3; (9) Molar Volume: 185.2 cm3; (10) Polarizability: 22.67×10-24 cm3; (11) Surface Tension: 40.5 dyne/cm; (12) Density: 1.09 g/cm3; (13) Flash Point: 142.2 °C; (14) Enthalpy of Vaporization: 57.15 kJ/mol; (15) Boiling Point: 329 °C at 760 mmHg; (16) Vapour Pressure: 0.000182 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1)C2(C#N)CCCCC2
(2) InChI: InChI=1/C13H14FN/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
(3) InChIKey: UOFSKBVHBCPJEQ-UHFFFAOYAQ