AG003ISH

79324-77-9 | 1-(3-Iodo-4-methoxyphenyl)ethanone

AG003ISH

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CAS Number	79324-77-9
Catalog Number	AG003ISH(AGN-PC-0NEECV)
Chemical Name	1-(3-Iodo-4-methoxyphenyl)ethanone
IUPAC Name	1-(3-iodo-4-methoxyphenyl)ethanone
InChI	InChI=1S/C9H9IO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key	YDTWTLOLPFLZHX-UHFFFAOYSA-N
MDL Number	MFCD02258873
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	CC(C1=CC=C(OC)C(I)=C1)=O
Synonyms	79324-77-9, 1-(3-iodo-4-methoxyphenyl)ethanone, 3'-Iodo-4'-methoxyacetophenone, 3-Iodo-4methoxyacetophenone, 1-(3-Iodo-4-methoxy-phenyl)-ethanone, SCHEMBL7943307, CTK8F5085, DTXSID40451850, YDTWTLOLPFLZHX-UHFFFAOYSA-N, ZINC2579287, ZX-AT029510, MFCD02258873, AKOS015913169, FCH1321816, VZ26973, 3'-Iodo-4'-methoxyacetophenone, 97%, Ethanone,1-(3-iodo-4-methoxyphenyl)-, 1-(3-iodanyl-4-methoxy-phenyl)ethanone, Ethanone, 1-(3-iodo-4-methoxyphenyl)-, AC-20914, AJ-42831, CC-15367, AB1003992, AX8007743, FT-0641714, X6967, A839651, C-17371, I14-46285, null, 3-Iodo-4-methoxyacetophenone, C9H9IO2, 1-(3-iodo-4-methoxy-phenyl)ethanone, CID11011237,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number