AG00C289

26944-43-4 | Ethanone, 2,2,2-trifluoro-1-(2-methoxyphenyl)- (9CI)

AG00C289

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CAS Number	26944-43-4
Catalog Number	AG00C289(AGN-PC-0KKNFW)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(2-methoxyphenyl)- (9CI)
IUPAC Name	2,2,2-trifluoro-1-(2-methoxyphenyl)ethanone
InChI	InChI=1S/C9H7F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H,1H3
InChI Key	SKDHRHGYJIMXRJ-UHFFFAOYSA-N
MDL Number	MFCD00461894
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	COC1=CC=CC=C1C(C(F)(F)F)=O
Synonyms	2,2,2-trifluoro-1-(2-methoxyphenyl)ethanone, 26944-43-4, 2'-Methoxy-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(2-methoxyphenyl)ethan-1-one, Ethanone, 2,2,2-trifluoro-1-(2-methoxyphenyl)-, AC1MC12Z, SCHEMBL3990682, CTK7B0497, DTXSID20374891, SKDHRHGYJIMXRJ-UHFFFAOYSA-N, ZINC2565655, AKOS012259557, RL02911, AJ-41149, AS-42517, 4CH-005823, FT-0691299, 2'-Methoxy-alpha,alpha,alpha-trifluoroacetophenone, J-506717, Ethanone,2,2,2-trifluoro-1- -, ZINC02565655, CID2759733, 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol, Ethanone, 2,2,2-trifluoro-1-(2-methoxyphenyl)- (9CI),

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	2.9

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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