AG00EKIN

63349-52-0 | 4-IODPHENYLACETIC ACID METHYL ESTER

AG00EKIN

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CAS Number	63349-52-0
Catalog Number	AG00EKIN(AGN-PC-0N3H5C)
Chemical Name	4-IODPHENYLACETIC ACID METHYL ESTER
IUPAC Name	methyl 2-(4-iodophenyl)acetate
InChI	InChI=1S/C9H9IO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChI Key	IYIVBGQBEMSRLO-UHFFFAOYSA-N
MDL Number	MFCD09752980
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(OC)CC1=CC=C(I)C=C1
Synonyms	Methyl 4-Iodophenylacetate, 63349-52-0, Methyl 2-(4-iodophenyl)acetate, 4-IODPHENYLACETIC ACID METHYL ESTER, methyl-4-iodophenylacetate, methyl(4-iodophenyl)acetate, Methyl (4-iodophenyl)acetate, SCHEMBL829305, methyl-(4-iodophenyl)-acetate, DTXSID30439006, IYIVBGQBEMSRLO-UHFFFAOYSA-N, ZINC38681259, 4-iodophenyl acetic acid methyl ester, AKOS015940451, 4-iodo phenyl acetic acid methyl ester, FS-5110, (4-iodo-phenyl)-acetic acid methyl ester, 2-(4-Iodophenyl)acetic acid methyl ester, AJ-96837, SC-69574, SY041745, Benzeneacetic acid, 4-iodo-, methyl ester, X5344, MFCD09752980 (95%), C9H9IO2, CID10378700,

Complexity	151
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	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number