AG0037KM

220227-53-2 | 1-[4-Hydroxy-2-(trifluoromethyl)phenyl]ethanone

AG0037KM

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CAS Number	220227-53-2
Catalog Number	AG0037KM(AGN-PC-0QYKMI)
Chemical Name	1-[4-Hydroxy-2-(trifluoromethyl)phenyl]ethanone
IUPAC Name	1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-4,14H,1H3
InChI Key	GKBDTFVRRWGDQM-UHFFFAOYSA-N
MDL Number	MFCD00008441
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	OC1=CC(=C(C=C1)C(C)=O)C(F)(F)F
Synonyms	220227-53-2, 1-(4-Hydroxy-2-(trifluoromethyl)phenyl)ethanone, 4'-Hydroxy-2'-trifluoromethylacetophenone, 1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone, 1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethan-1-one, 4-hydroxy-2-trifluromethylacetophenone, 4'-Hydroxy-2'-(trifluoromethyl)acetophenone, 1-(4-Hydroxy-2-trifluoromethyl-phenyl)-ethanone, 4 -Hydroxy-2 -trifluoromethylacetophenone, AC1MCPZJ, PubChem16927, SCHEMBL323569, CTK4E8305, KS-00003KRH, DTXSID20379386, GKBDTFVRRWGDQM-UHFFFAOYSA-N, ZINC2572873, ANW-49950, BBL101078, CL8671, MFCD01091004, SBB055340, STL554872, AKOS005256421, AS01152, FS-2613, AJ-42104, AK-57141, BR-57141, CJ-09983, AB0023474, ST2415016, TC-138695, 4CH-013375, AM20050140, FT-0084451, FT-0660273, W4540, 1-acetyl-4-hydroxy-2-(trifluoromethyl)benzene, 4-HYDROXY-2-TRIFLUOROMETHYLACETOPHENONE, A11637, S-3498, 4'-HYDROXY-2'-TRIFLUROMETHYLACETOPHENONE, Ethanone,1-[4-hydroxy-2-(trifluoromethyl)phenyl]-, 4'-hydroxy-2'-trifluoromethylacetophenone, AldrichCPR, C9H7F3O2, ZINC02572873, CID2775108,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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