AG008SWG

1065076-49-4 | 1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethanone

AG008SWG

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CAS Number	1065076-49-4
Catalog Number	AG008SWG(AGN-PC-0WNQGF)
Chemical Name	1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethanone
IUPAC Name	1-(2-fluoro-4-hydroxy-5-methoxyphenyl)ethanone
InChI	InChI=1S/C9H9FO3/c1-5(11)6-3-9(13-2)8(12)4-7(6)10/h3-4,12H,1-2H3
InChI Key	JTOSXEWSXIZJGX-UHFFFAOYSA-N
MDL Number	MFCD11101445
Molecular Formula	C9H9FO3
Molecular Weight	184.1644
SMILES	COC1=CC(C(C)=O)=C(F)C=C1O
Synonyms	1065076-49-4, 1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethanone, 2'-Fluoro-4'-hydroxy-5'-methoxyacetophenone, 1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethan-1-one, SCHEMBL1498783, CTK6J5192, DTXSID70672874, JTOSXEWSXIZJGX-UHFFFAOYSA-N, 4-Acetyl-5-fluoro-2-methoxyphenol, KS-00003QU4, ZX-AP003358, 5-Acetyl-4-fluoro-2-hydroxyanisole, ANW-67891, CL9049, MFCD11101445, PC4446, SBB090134, ZINC36533712, AKOS016007178, FCH1123078, PS-6620, AJ-93250, AK-82015, AB0034020, AX8236751, RT-016434, 4CH-021837, CS-0060846, ST24037099, X8104, 1-acetyl-2-fluoro-4-hydroxy-5-methoxybenzene, C9H9FO3, 5-FLUORO-2,4-DIMETHOXYPHENOL,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.166g/mol
Monoisotopic Mass	184.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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