AG0036MV

75091-99-5 | 4-(Trifluoromethyl)cyclohexanone

AG0036MV

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CAS Number	75091-99-5
Catalog Number	AG0036MV(AGN-PC-0KKY9R)
Chemical Name	4-(Trifluoromethyl)cyclohexanone
IUPAC Name	4-(trifluoromethyl)cyclohexan-1-one
InChI	InChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2
InChI Key	IPQDZFUZVJKAKZ-UHFFFAOYSA-N
MDL Number	MFCD00102145
Molecular Formula	C7H9F3O
Molecular Weight	166.1410
SMILES	O=C1CCC(C(F)(F)F)CC1
Synonyms	4-(trifluoromethyl)cyclohexanone, 75091-99-5, 4-(trifluoromethyl)cyclohexan-1-one, 4-TRIFLUOROMETHYLCYCLOHEXANONE, Cyclohexanone, 4-(trifluoromethyl)-, MFCD00102145, 4-(trifluoromethyl)-1-cyclohexanone, PubChem16025, AC1MCRR4, SCHEMBL569231, 4-trifluoromethyl cyclohexanone, 4-trifluoromethyl-cyclohexanone, CTK5E1095, DTXSID00380536, IPQDZFUZVJKAKZ-UHFFFAOYSA-N, ZINC157897, Cyclohexanone,4-(trifluoromethyl)-, BCP07191, ANW-47331, BBL102447, RW3672, SBB056230, STL556249, 1-Oxo-4-(trifluoromethyl)cyclohexane, AKOS005256517, 4-(Trifluoromethyl)cyclohexanone, 97%, ACN-025233, AN-5872, MCULE-9594979307, PS-6828, QC-2724, RP02456, SB13836, AJ-15124, AK-29502, BC652149, BR-29502, EN003041, SC-15082, ZB006790, AB0026564, DB-027899, ST2405494, TR-024202, 4-(Trifluoromethyl)cyclohexanone, AldrichCPR, 4CH-017817, A9585, FT-0616928, ST50950099, W8259, C-6242, 091T995, A810588, A838323, 3S105721, I14-4641, J-513921, Z1695799390, C7H9F3O, ZINC00157897, CID2777491, 16473-11-3,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.061g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.143g/mol
Monoisotopic Mass	166.061g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

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