AG004Y7U

857599-37-2 | Methyl 2-iodo-5-methoxybenzoate

AG004Y7U

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CAS Number	857599-37-2
Catalog Number	AG004Y7U(AGN-PC-0J0YB3)
Chemical Name	Methyl 2-iodo-5-methoxybenzoate
IUPAC Name	methyl 2-iodo-5-methoxybenzoate
InChI	InChI=1S/C9H9IO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,1-2H3
InChI Key	RDRCCNSFEFSPTO-UHFFFAOYSA-N
MDL Number	MFCD12923253
Molecular Formula	C9H9IO3
Molecular Weight	292.0704
SMILES	COC(=O)C1=C(I)C=CC(OC)=C1
Synonyms	Methyl 2-iodo-5-methoxybenzoate, 857599-37-2, 2-Iodo-5-methoxy-benzoic acid methyl ester, CTK8C3717, DTXSID50743854, 3345AC, ANW-70445, MFCD12923253, ZINC82046597, AKOS016002685, FCH1378634, AK100208, AS-44988, AJ-124291, AX8241185, TC-159190, ST24025242, Z-8809, C9H9IO3, Methyl2-iodo-5-methoxybenzoate,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	292.072g/mol
Monoisotopic Mass	291.96g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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