AG00DHUL

54413-93-3 | 2-Iodo-5-methoxybenzoic acid

AG00DHUL

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CAS Number	54413-93-3
Catalog Number	AG00DHUL(AGN-PC-001NZD)
Chemical Name	2-Iodo-5-methoxybenzoic acid
IUPAC Name	2-iodo-5-methoxybenzoic acid
InChI	InChI=1S/C8H7IO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	DASWULXFGZZRIC-UHFFFAOYSA-N
MDL Number	MFCD00204590
Molecular Formula	C8H7IO3
Molecular Weight	278.0439
SMILES	O=C(O)C1=CC(OC)=CC=C1I
Synonyms	2-IODO-5-METHOXYBENZOIC ACID, 54413-93-3, 2-Iodo-5-methoxy-benzoic acid, Benzoic acid, 2-iodo-5-methoxy-, 2-iodo-5-methoxy benzoic acid, SCHEMBL1586234, CTK1G7912, KS-00000IMJ, DTXSID30560900, DASWULXFGZZRIC-UHFFFAOYSA-N, ANW-48902, MFCD00204590, ZINC34305080, AKOS015920233, CS-W005683, GS-3939, RP29781, AJ-87891, AK-77325, BR-77325, AB0034004, TX-016451, 4CH-009406, ST24028047, X8085, S-3792, Z-8565, J-509713, C8H7IO3, 2-IODO-5-METHOXYBENZOICACID,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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