AG003F56

33284-17-2 | Ethanone, 2,2,2-trifluoro-1-(2-pyridinyl)- (9CI)

AG003F56

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CAS Number	33284-17-2
Catalog Number	AG003F56(AGN-PC-0R8TGE)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(2-pyridinyl)- (9CI)
IUPAC Name	2,2,2-trifluoro-1-pyridin-2-ylethanone
InChI	InChI=1S/C7H4F3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4H
InChI Key	WBDGOEPVBPCRLY-UHFFFAOYSA-N
MDL Number	MFCD27920722
Molecular Formula	C7H4F3NO
Molecular Weight	175.1080
SMILES	FC(F)(F)C(=O)C1=CC=CC=N1
Synonyms	33284-17-2, 2,2,2-trifluoro-1-(pyridin-2-yl)ethanone, 2-(TRIFLUOROACETYL)PYRIDINE, 2-(Trifluoroacetyl)pyridine (contains gem-diol), 2,2,2-trifluoro-1-(pyridin-2-yl)ethan-1-one, 2,2,2-trifluoro-1-pyridin-2-ylethanone, 2-pyridyl trifluoromethyl ketone, SCHEMBL10750254, CTK8B8049, DTXSID30603285, KS-00000C0R, ANW-59268, MFCD07380748, ZINC39054872, AKOS006285360, AB41892, AJ-97679, CS-11095, SC-26992, SY005305, 2,2,2-trifluoro-1-(2-pyridinyl)Ethanone, 2,2,2-Trifluoro-1-pyridin-2-yl-ethanone, DB-068795, TC-072033, A5941, FT-0733193, V5247, 2-(Trifluoroacetyl)pyridine(containsgem-diol), Z-3919, MFCD07380748 (97+%), 284T172, C7H4F3NO, ACN-039019, ETHANONE, 2,2,2-TRIFLUORO-1-(2-PYRIDINYL)-, Ethanone, 2,2,2-trifluoro-1-(2-pyridinyl)- (9CI),

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.11g/mol
Monoisotopic Mass	175.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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