AG007VWT

1060810-86-7 | Ethanone, 1-​[2-​(trifluoromethyl)​-​4-​pyridinyl]​-

AG007VWT

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CAS Number	1060810-86-7
Catalog Number	AG007VWT(AGN-PC-09RNA6)
Chemical Name	Ethanone, 1-​[2-​(trifluoromethyl)​-​4-​pyridinyl]​-
IUPAC Name	1-[2-(trifluoromethyl)pyridin-4-yl]ethanone
InChI	InChI=1S/C8H6F3NO/c1-5(13)6-2-3-12-7(4-6)8(9,10)11/h2-4H,1H3
InChI Key	BMONBFLXHMNABJ-UHFFFAOYSA-N
MDL Number	MFCD11847720
Molecular Formula	C8H6F3NO
Molecular Weight	189.1345
SMILES	C(F)(F)(F)c1cc(C(=O)C)ccn1
Synonyms	1-(2-(Trifluoromethyl)pyridin-4-yl)ethanone, 1060810-86-7, 1-[2-(trifluoromethyl)pyridin-4-yl]ethanone, MFCD11847720, SCHEMBL16690807, CTK8C3752, DTXSID90694992, 1369AA, ANW-70493, ZINC66055256, AKOS016002714, AB64724, FCH1156938, 2-TRIFLUOROMETHYL-4-ACETYLPYRIDINE, AC-29141, AK100146, SC-28897, AJ-115783, AX8240861, TC-159238, 1-[2-(Trifluoromethyl)-4-pyridinyl]ethanone, C-0488, Ethanone, 1-[2-(trifluoromethyl)-4-pyridinyl]-, 1-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]ETHAN-1-ONE, C8H6F3NO,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.137g/mol
Monoisotopic Mass	189.04g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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