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40503-86-4

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Basic Information
CAS No.: 40503-86-4
Name: 4-(4-Fluorophenyl)cyclohexanone
Article Data: 18
Molecular Structure:
Molecular Structure of 40503-86-4 (4-(4-Fluorophenyl)cyclohexanone)
Formula: C12H13FO
Molecular Weight: 192.233
Synonyms: 4-(p-Fluorophenyl)cyclohexanone;4-(4-fluorophenyl)cyclohexanone;Cyclohexanone, 4-(4-fluorophenyl)-;4-(4-fluorophenyl)cyclohexan-1-one
Density: 1.122 g/cm3
Boiling Point: 292.32 °C at 760 mmHg
Flash Point: 127.071 °C
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Specification

The 4-(4-Fluorophenyl)cyclohexanone CAS registry number is 40503-86-4. This chemical's molecular formula is C12H13FO and molecular weight is 192.2294232. What's more, its IUPAC name and systematic name is 4-(4-Fluorophenyl)cyclohexanone.

Physical properties about 4-(4-Fluorophenyl)cyclohexanone: (1)ACD/LogP: 2.85; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 546; (8)ACD/KOC (pH 7.4): 546; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 52.239 cm3; (15)Molar Volume: 171.345 cm3; (16)Surface Tension: 37.855 dyne/cm; (17)Density: 1.122 g/cm3; (18)Flash Point: 127.071 °C; (19)Enthalpy of Vaporization: 53.182 kJ/mol; (20)Boiling Point: 292.32 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C2CCC(=O)CC2
(2) InChI: InChI=1/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
(3) InChIKey: KSQIGHIYGAPXCW-UHFFFAOYAA