AG004SQO

861905-94-4 | 3-Fluoro-4-methyl-5-iodobenzoic acid

AG004SQO

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CAS Number	861905-94-4
Catalog Number	AG004SQO(AGN-PC-076LVK)
Chemical Name	3-Fluoro-4-methyl-5-iodobenzoic acid
IUPAC Name	3-fluoro-5-iodo-4-methylbenzoic acid
InChI	InChI=1S/C8H6FIO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key	PODTVAOVOKWNDI-UHFFFAOYSA-N
MDL Number	MFCD16622791
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	CC1=C(F)C=C(C=C1I)C(O)=O
Synonyms	861905-94-4, 3-Fluoro-5-iodo-4-methylbenzoic acid, 3-Fluoro-4-methyl-5-iodobenzoic acid, Benzoic acid, 3-fluoro-5-iodo-4-methyl-, 3-Fluoro-5-iodo-4-methylbenzenecarboxylic acid, SCHEMBL1233792, CTK3C7570, DTXSID10659225, PODTVAOVOKWNDI-UHFFFAOYSA-N, 4-Carboxy-2-fluoro-6-iodotoluene, fluoroiodomethylbenzenecarboxylicacid, KS-000011GY, 3470AC, ANW-56071, MFCD16622791, ZINC52507772, AKOS015853182, AS04996, EE-0002, RP15461, 3-fluoro-5-iodo-4-methyl-benzoic acid, AN-26964, DA-18184, AJ-112075, TR-038041, 4CH-021313, FT-0681907, ST24042171, J-512521, I01-14968, C8H6FIO2, 3-Fluoro-4-methyl-5-iodobenzoicacid, 3-fluoro-5-iodo-4-methylbenzoic acid, 95% - 1G 1g, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.94g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.037g/mol
Monoisotopic Mass	279.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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