AG0076YW

40503-86-4 | 4-(4-Fluorophenyl)cyclohexanone

AG0076YW

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CAS Number	40503-86-4
Catalog Number	AG0076YW(AGN-PC-0NKHBM)
Chemical Name	4-(4-Fluorophenyl)cyclohexanone
IUPAC Name	4-(4-fluorophenyl)cyclohexan-1-one
InChI	InChI=1S/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
InChI Key	KSQIGHIYGAPXCW-UHFFFAOYSA-N
MDL Number	MFCD09743527
Molecular Formula	C12H13FO
Molecular Weight	192.2294
SMILES	O=C1CCC(CC1)c1ccc(cc1)F
Synonyms	4-(4-FLUOROPHENYL)CYCLOHEXANONE, 40503-86-4, 4-(4-fluorophenyl)cyclohexan-1-one, Cyclohexanone, 4-(4-fluorophenyl)-, SCHEMBL745535, CTK4I3215, DTXSID80511048, 4-(4-fluorophenyl)-cyclohexanone, KSQIGHIYGAPXCW-UHFFFAOYSA-N, ZINC39309507, 1-(4-Fluoro-phenyl)-4-cyclohexanone, AKOS006331302, MCULE-9311138375, NE51255, RP25179, CS-12352, SY047368, TX-013116, MFCD09743527 (95%), J-513518, Z1623864172,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.233g/mol
Monoisotopic Mass	192.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number