AG007GOT

103440-53-5 | Methyl 4-iodo-2-methylbenzoate

AG007GOT

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CAS Number	103440-53-5
Catalog Number	AG007GOT(AGN-PC-00OYD5)
Chemical Name	Methyl 4-iodo-2-methylbenzoate
IUPAC Name	methyl 4-iodo-2-methylbenzoate
InChI	InChI=1S/C9H9IO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	AMTCFHNIEBPFLM-UHFFFAOYSA-N
MDL Number	MFCD18399464
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	COC(=O)C1=C(C)C=C(I)C=C1
Synonyms	Methyl 4-iodo-2-methylbenzoate, 103440-53-5, 4-Iodo-2-methyl-benzoic acid methyl ester, AK-77363, SCHEMBL2351916, CTK8C4341, DTXSID00571765, AMTCFHNIEBPFLM-UHFFFAOYSA-N, 0826AA, ANW-71609, MFCD18399464, ZINC85224623, AKOS016007367, FCH2421159, AC-28616, DS-17149, SC-68056, AJ-127564, AX8223839, TC-160354, CS-0041219, Benzoic acid, 4-iodo-2-methyl-, methyl ester, C9H9IO2,

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	3.4

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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