AG001LDV

149105-11-3 | 4'-Hydroxy-3'-(trifluoromethyl)acetophenone

AG001LDV

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CAS Number	149105-11-3
Catalog Number	AG001LDV(AGN-PC-0KKWMU)
Chemical Name	4'-Hydroxy-3'-(trifluoromethyl)acetophenone
IUPAC Name	1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H7F3O2/c1-5(13)6-2-3-8(14)7(4-6)9(10,11)12/h2-4,14H,1H3
InChI Key	HKRUXZJKSFFSGF-UHFFFAOYSA-N
MDL Number	MFCD01091005
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	C1(=C(O)C=CC(C(=O)C)=C1)C(F)(F)F
Synonyms	149105-11-3, 4-Hydroxy-3-(trifluoromethyl)acetophenone, 4'-Hydroxy-3'-(trifluoromethyl)acetophenone, 1-(4-Hydroxy-3-(trifluoromethyl)phenyl)ethanone, 1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone, MFCD01091005, 1-[4-Hydroxy-3-(trifluoromethyl)phenyl]ethan-1-one, 1-(4-Hydroxy-3-trifluoromethylphenyl)ethanone, Ethanone,1-[4-hydroxy-3-(trifluoromethyl)phenyl]-, AC1MCPZK, ACMC-1BXYQ, Intermediates-ZCF02143, SCHEMBL840795, CTK4C6043, DTXSID80379387, HKRUXZJKSFFSGF-UHFFFAOYSA-N, 5-Acetyl-2-hydroxybenzotrifluoride, KS-00003KN1, ZINC2572874, ZX-AP002315, PC6845, SBB093246, AKOS016015696, AS05202, CM11217, CS-W015428, FCH1320465, FS-2087, VZ29170, AJ-42105, CC-19442, SC-12520, AX8007410, RT-008985, FT-0643428, 1-acetyl-4-hydroxy-3-(trifluoromethyl)benzene, 1-[4-oxidanyl-3-(trifluoromethyl)phenyl]ethanone, A808841, C-09946, 2-HYDROXY-5-(METHYLCARBONYL)BENZOTRIFLUORIDE, Ethanone, 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-, ZINC02572874, 4'-HYDROXY-3'- ACETOPHENONE, CID2775109,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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