AG00IBLH

66370-75-0 | Benzeneacetic acid, 2-iodo-, methyl ester

AG00IBLH

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CAS Number	66370-75-0
Catalog Number	AG00IBLH(AGN-PC-0JU757)
Chemical Name	Benzeneacetic acid, 2-iodo-, methyl ester
IUPAC Name	methyl 2-(2-iodophenyl)acetate
InChI	InChI=1S/C9H9IO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChI Key	YNHWTTUTWBNFGQ-UHFFFAOYSA-N
MDL Number	MFCD12025058
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(OC)CC1=CC=CC=C1I
Synonyms	methyl 2-(2-iodophenyl)acetate, 66370-75-0, benzeneacetic acid, 2-iodo-, methyl ester, methyl (2-iodophenyl)acetate, methyl 2-iodophenylacetate, AC1LD04N, methyl(2-iodophenyl)acetate, SCHEMBL3623804, YNHWTTUTWBNFGQ-UHFFFAOYSA-N, 2-iodophenylacetic acid methyl ester, ZINC32299196, 2-Iodobenzeneacetic acid methyl ester, AKOS022187055, (2-iodophenyl)acetic acid methyl ester, (2-iodo-phenyl)acetic acid methyl ester, (2-iodophenyl)-acetic acid methyl ester, AJ-85201, DA-04502, FT-0744623, InChI=1/C9H9IO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H, CID640185,

Complexity	159
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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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