AG001I34

142265-69-8 | Ethanone, 1-(2-fluoro-4,5-dimethoxyphenyl)-

AG001I34

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CAS Number	142265-69-8
Catalog Number	AG001I34(AGN-PC-0N2O16)
Chemical Name	Ethanone, 1-(2-fluoro-4,5-dimethoxyphenyl)-
IUPAC Name	1-(2-fluoro-4,5-dimethoxyphenyl)ethanone
InChI	InChI=1S/C10H11FO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,1-3H3
InChI Key	JRWQSKXAEUPVNJ-UHFFFAOYSA-N
MDL Number	MFCD17226285
Molecular Formula	C10H11FO3
Molecular Weight	198.1909
SMILES	COC1=C(OC)C=C(C(C)=O)C(F)=C1
Synonyms	142265-69-8, 1-(2-fluoro-4,5-dimethoxyphenyl)ethan-1-one, 2'-Fluoro-4',5'-dimethoxyacetophenone, 1-(2-Fluoro-4,5-dimethoxyphenyl)ethanone, SCHEMBL6779197, MFCD17226285, ZINC38523777, AKOS009165106, MCULE-2596360396, NE42641, RP25601, AS-46379, Ethanone, 1-(2-fluoro-4,5-dimethoxyphenyl)-, CID10330356, 1-(2-fluoro-4,5-dimethoxy-phenyl)ethanone,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.193g/mol
Monoisotopic Mass	198.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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