AG007JR4

30724-22-2 | 3'-METHOXY-2,2,2-TRIFLUOROACETOPHENONE

AG007JR4

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CAS Number	30724-22-2
Catalog Number	AG007JR4(AGN-PC-0KKNFX)
Chemical Name	3'-METHOXY-2,2,2-TRIFLUOROACETOPHENONE
IUPAC Name	2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone
InChI	InChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3
InChI Key	YCVFUKRFGPIHOI-UHFFFAOYSA-N
MDL Number	MFCD00461895
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	COC1=CC(C(C(F)(F)F)=O)=CC=C1
Synonyms	2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone, 30724-22-2, 3'-Methoxy-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(3-methoxyphenyl)ethan-1-one, 2,2,2-TRIFLUORO-1-(3-METHOXY-PHENYL)-ETHANONE, 3-Trifluoroacetylanisole, AC1MC132, SCHEMBL2500212, CTK4G5763, DTXSID80374892, YCVFUKRFGPIHOI-UHFFFAOYSA-N, ZINC2565656, 9734AD, Trifluoromethyl 3-methoxyphenyl ketone, 3-Methoxyphenyl Trifluoromethyl Ketone, AKOS005259361, RL03080, AJ-41150, AS-42516, 3' Methoxy -2,2,2-Trifluoroacetophenone, AB0048517, TX-016105, 4CH-005830, FT-0671380, 1-(3-Methoxyphenyl)-2,2,2-trifluoroethanone, 3'-Methoxy-alpha,alpha,alpha-trifluoroacetophenone, Ethanone, 2,2,2-trifluoro-1-(3-methoxyphenyl)-, J-506723, C9H7F3O2, ZINC02565656, CID2759734,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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