AG003JFL

237761-81-8 | 3'-Fluoro-4'-(trifluoromethyl)acetophenone

AG003JFL

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CAS Number	237761-81-8
Catalog Number	AG003JFL(AGN-PC-0KK8L0)
Chemical Name	3'-Fluoro-4'-(trifluoromethyl)acetophenone
IUPAC Name	1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6F4O/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-4H,1H3
InChI Key	NXQBONPKAOTSNA-UHFFFAOYSA-N
MDL Number	MFCD00236273
Molecular Formula	C9H6F4O
Molecular Weight	206.1370
SMILES	CC(C1=CC=C(C(F)(F)F)C(F)=C1)=O
Synonyms	237761-81-8, 3'-Fluoro-4'-(trifluoromethyl)acetophenone, 1-(3-fluoro-4-(trifluoromethyl)phenyl)ethanone, 3-fluoro-4-(trifluoromethyl)acetophenone, 1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone, 1-[3-fluoro-4-(trifluoromethyl)phenyl]ethan-1-one, MFCD00236273, Ethanone, 1-[3-fluoro-4-(trifluoromethyl)phenyl]-, 1-acetyl-3-fluoro-4-(trifluoromethyl)benzene, PubChem12023, ACMC-1CIJ5, Intermediates-ZCF02639, AC1MC7G7, SCHEMBL313169, CTK4F2228, DTXSID40372117, NXQBONPKAOTSNA-UHFFFAOYSA-N, KS-00000ZU9, ZINC2560168, 8041AD, SBB093601, AKOS005259092, AS05192, CM11212, MCULE-9393749443, RTR-011013, AJ-40488, AS-45925, SC-12521, CS-0059207, FT-0676130, ST50407333, 1-(3-fluoro-4-trifluoromethylphenyl)ethanone, C-5780, 1-(3-fluoro-4-trifluoromethyl-phenyl)-ethanone, 19122-EP2314576A1, 1-[3-fluoranyl-4-(trifluoromethyl)phenyl]ethanone, A816892, Ethanone,1-[3-fluoro-4-(trifluoromethyl)phenyl]-, I14-29728, C9H6F4O, 3'-FLUORO-4'- ACETOPHENONE, ZINC02560168, CID2737532,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.14g/mol
Monoisotopic Mass	206.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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