AG001ZFW

17408-17-2 | Ethanone, 2,2,2-trifluoro-1-(2-nitrophenyl)-

AG001ZFW

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CAS Number	17408-17-2
Catalog Number	AG001ZFW(AGN-PC-0018VM)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(2-nitrophenyl)-
IUPAC Name	2,2,2-trifluoro-1-(2-nitrophenyl)ethanone
InChI	InChI=1S/C8H4F3NO3/c9-8(10,11)7(13)5-3-1-2-4-6(5)12(14)15/h1-4H
InChI Key	SMAUUHMFSKFQNB-UHFFFAOYSA-N
MDL Number	MFCD22381837
Molecular Formula	C8H4F3NO3
Molecular Weight	219.1175
SMILES	C1=CC=C(C(=C1)C(=O)C(F)(F)F)[N+](=O)[O-]
Synonyms	2,2,2-trifluoro-1-(2-nitrophenyl)ethanone, 17408-17-2, 2,2,2-trifluoro-1-(2-nitrophenyl)ethan-1-one, SCHEMBL4891399, DTXSID20559641, MFCD22381837, AKOS016014312, ZINC100077150, 2'-nitro-2,2,2-trifluoroacetophenone, NE37990, RL02228, AS-42518, AB0050486, 4CH-005862, 2'-Nitro-alpha,alpha,alpha-trifluoroacetophenone, Ethanone, 2,2,2-trifluoro-1-(2-nitrophenyl)-, J-506718,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.119g/mol
Monoisotopic Mass	219.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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