AG00C05L

33284-21-8 | Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI)

AG00C05L

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CAS Number	33284-21-8
Catalog Number	AG00C05L(AGN-PC-00FSBO)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI)
IUPAC Name	2,2,2-trifluoro-1-pyridin-3-ylethanone
InChI	InChI=1S/C7H4F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4H
InChI Key	PUFPXTQTBPNXAD-UHFFFAOYSA-N
MDL Number	MFCD00799596
Molecular Formula	C7H4F3NO
Molecular Weight	175.1080
SMILES	FC(F)(F)C(=O)C1=CN=CC=C1
Synonyms	33284-21-8, 2,2,2-trifluoro-1-(pyridin-3-yl)ethanone, 3-(TRIFLUOROACETYL)PYRIDINE, Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI), 3-Trifluoroacetylpyridine, ETHANONE, 2,2,2-TRIFLUORO-1-(3-PYRIDINYL)-, 2,2,2-TRIFLUORO-1-(PYRIDIN-3-YL)ETHAN-1-ONE, PncA Inhibitor, 3, 2,2,2-trifluoro-1-pyridin-3-yl-ethanone, SCHEMBL5332528, BDBM92859, CTK8B8050, DTXSID70472098, PUFPXTQTBPNXAD-UHFFFAOYSA-N, ANW-59271, RB1144, ZINC36420007, AKOS012259163, AB07257, RL03213, 2,2,2-trifluoro-1-pyridin-3-ylethanone, AJ-92793, AB0048608, DB-013165, TC-148016, 4CH-005635, A5942, CS-0063929, FT-0647908, 284T218, 2,2,2-TRIFLUORO-1-(3-PYRIDINYL)-ETHANONE, J-520454, S02-0294, Ethanone,2,2,2-trifluoro-1- -, ACN-039021, CID11769061, 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanone HCl h2o,

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	1.5

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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