AG00EDVC

585-36-4 | 3-(Trifluoromethyl)cyclohexanone

AG00EDVC

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CAS Number	585-36-4
Catalog Number	AG00EDVC(AGN-PC-05WPFG)
Chemical Name	3-(Trifluoromethyl)cyclohexanone
IUPAC Name	3-(trifluoromethyl)cyclohexan-1-one
InChI	InChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5H,1-4H2
InChI Key	YHADNJOEQWBXAR-UHFFFAOYSA-N
MDL Number	MFCD00034662
Molecular Formula	C7H9F3O
Molecular Weight	166.1410
SMILES	O=C1CC(C(F)(F)F)CCC1
Synonyms	3-(Trifluoromethyl)cyclohexanone, 585-36-4, 3-(trifluoromethyl)cyclohexan-1-one, 3-(trifluoromethyl) cyclohexanone, Cyclohexanone, 3-(trifluoromethyl)-, MFCD00034662, AC1MCVCU, AC1Q4JR3, 3-trifluoromethylcyclohexanone, 3-trifluoromethyl-cyclohexanone, SCHEMBL1397564, CTK1G8421, KS-00003QWP, 3-(trifluoromethyl)-cyclohexanone, DTXSID60381408, YHADNJOEQWBXAR-UHFFFAOYSA-N, 3-(trifluoromethyl)-1-cyclohexanone, 6080AE, BBL101509, SBB087975, STL555305, 1-Oxo-3-(trifluoromethyl)cyclohexane, AKOS005259123, 3-(Trifluoromethyl)cyclohexanone, 97%, MCULE-9135899527, PS-6827, SB13839, DB-008252, TR-020333, FT-0676383, Y-9407, A831911, I14-29511, Z1762997557, C7H9F3O, ZINC02167953, CID2779355,

Complexity	162
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H317-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number