AG00233R

18179-39-0 | Benzoic acid, 2-hydroxy-4-iodo-, methyl ester

AG00233R

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CAS Number	18179-39-0
Catalog Number	AG00233R(AGN-PC-007Y5Z)
Chemical Name	Benzoic acid, 2-hydroxy-4-iodo-, methyl ester
EC Number	605-947-9
IUPAC Name	methyl 2-hydroxy-4-iodobenzoate
InChI	InChI=1S/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChI Key	WUFUURSWOJROKY-UHFFFAOYSA-N
MDL Number	MFCD06797864
Molecular Formula	C8H7IO3
Molecular Weight	278.0439
SMILES	O=C(OC)C1=CC=C(I)C=C1O
Synonyms	Methyl 4-iodosalicylate, 18179-39-0, Methyl 2-hydroxy-4-iodobenzoate, 4-Iodosalicylic Acid Methyl Ester, MFCD06797864, 2-Hydroxy-4-iodobenzoic Acid Methyl Ester, Benzoic acid,2-hydroxy-4-iodo-, methyl ester, Benzoic acid, 2-hydroxy-4-iodo-, methyl ester, methyl-4-iodosalicylate, ACMC-1C81E, SCHEMBL256715, methyl2-hydroxy-4-iodobenzoate, Methyl 4-iodosalicylate, 97%, methyl 4-iodo-2-hydroxybenzoate, CTK4D7980, KS-00000HBE, DTXSID00464143, Methyl-2-hydroxy-4-iodo-benzoate, WUFUURSWOJROKY-UHFFFAOYSA-N, ZINC3880852, ANW-23074, AKOS015908871, AS02314, CS-W007286, PS-5223, SB01010, AJ-46567, AK144550, SC-49002, SY038931, 2-hydroxy-4-iodo-benzoic acid methyl ester, AB1003752, DB-065375, TC-111819, Benzoic acid,2-hydroxy-4-iodo-,methyl ester, FT-0647999, M1908, V3917, MFCD06797864 (98%), J-011632, I14-34690, Methyl 2-hydroxy-4-iodobenzoate; 4-Iodosalicylic acid methyl ester, Methyl4-iodosalicylate, methyl 4-iodosalicyclate, C8H7IO3, Methyl 2-hydroxy-4-iodo-benzoate, Methyl 4-iodosalicylate, 98% 5g, CID11380407,

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	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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