AG003LKA

89942-34-7 | 4-IODO-2-METHOXYBENZOIC ACID

AG003LKA

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CAS Number	89942-34-7
Catalog Number	AG003LKA(AGN-PC-00MM0C)
Chemical Name	4-IODO-2-METHOXYBENZOIC ACID
IUPAC Name	4-iodo-2-methoxybenzoic acid
InChI	InChI=1S/C8H7IO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	KKAZLRGZDIWYJT-UHFFFAOYSA-N
MDL Number	MFCD07780726
Molecular Formula	C8H7IO3
Molecular Weight	278.0438
SMILES	O=C(O)C1=CC=C(I)C=C1OC
Synonyms	4-Iodo-2-methoxybenzoic acid, 89942-34-7, Benzoic acid,4-iodo-2-methoxy-, 4-Iodo-2-methoxybenzoic acid, 97%, ACMC-20amge, 4-iodo-2-methoxy benzoic acid, SCHEMBL1050257, CTK5G7160, DTXSID00541185, KKAZLRGZDIWYJT-UHFFFAOYSA-N, Benzoic acid, 4-iodo-2-methoxy-, MFCD07780726, ZINC12957467, AKOS005147332, AS02241, AC-28656, AS-49777, SC-82218, TC-168773, FT-0706189, Z2753056612, 4-IODO-2-METHOXYBENZOICACID, ACN-050177,

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	2.2

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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