AG001PUG

157942-12-6 | Benzoic acid, 3-hydroxy-4-iodo-, methyl ester

AG001PUG

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CAS Number	157942-12-6
Catalog Number	AG001PUG(AGN-PC-0N3H7T)
Chemical Name	Benzoic acid, 3-hydroxy-4-iodo-, methyl ester
IUPAC Name	methyl 3-hydroxy-4-iodobenzoate
InChI	InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChI Key	LXCQVWRESZDFGW-UHFFFAOYSA-N
MDL Number	MFCD06203960
Molecular Formula	C8H7IO3
Molecular Weight	278.0439
SMILES	O=C(OC)C1=CC=C(I)C(O)=C1
Synonyms	methyl 3-hydroxy-4-iodobenzoate, 157942-12-6, Methyl-4-iodo-3-hydroxy benzoate, 3-Hydroxy-4-iodobenzoic acid methyl ester, 3-hydroxy-4-iodo-benzoic acid methyl ester, Methyl 3-hydroxy-4-iodobenzenecarboxylate, Benzoic acid, 3-hydroxy-4-iodo-, methyl ester, MFCD06203960, rarechem al bf 0964, SCHEMBL976862, methyl 3-hydroxy4-iodobenzoate, CTK6I9775, KS-00000GNH, Methyl 4-iodo-3-hydroxybenzoate, Methyl-3-hydroxy-4-iodobenzoate, Methyl-4-iodo-3-hydroxybenzoate, DTXSID10439009, LXCQVWRESZDFGW-UHFFFAOYSA-N, Methyl 4-iodo-3-hydroxy benzoate, ZINC8700304, ANW-47515, Methyl 3-hydroxy-4-iodobenzoate and, SBB068814, methyl 4-iodanyl-3-oxidanyl-benzoate, AKOS005073538, CM-2215, CS-W018915, FE-0770, MCULE-7863784257, QC-1581, RP15376, RTC-030050, AC-25708, AJ-58345, AK-31800, BR-31800, SC-54560, 4-Iodo-3-hydroxy-benzoic acid methyl ester, AB0022546, DB-007686, ST2413356, TC-030050, 4CH-007511, FT-0655523, TL80090660, W3431, C-4324, A809886, S01-0288, BENZOIC ACID,3-HYDROXY-4-IODO-, METHYL ESTER, Z1680361941, C8H7IO3, Methyl 3-hydroxy-4-iodo-benzoate, ACN-038535, CID10378812, 4-IODO-3-HYDROXY BENZOATE METHYL ESTER,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.045g/mol
Monoisotopic Mass	277.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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