AG003HGH

108078-14-4 | 2-IODO-3-METHYLBENZOIC ACID

AG003HGH

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CAS Number	108078-14-4
Catalog Number	AG003HGH(AGN-PC-0KKN5Z)
Chemical Name	2-IODO-3-METHYLBENZOIC ACID
IUPAC Name	2-iodo-3-methylbenzoic acid
InChI	InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	PZUXUOZSSYKAMX-UHFFFAOYSA-N
MDL Number	MFCD00079764
Molecular Formula	C8H7IO2
Molecular Weight	262.0444
SMILES	CC1=CC=CC(C(O)=O)=C1I
Synonyms	2-Iodo-3-methylbenzoic acid, 108078-14-4, 2-IODO-M-TOLUIC ACID, Benzoic acid,2-iodo-3-methyl-, MFCD00079764, 2-iodo-3-methyl-benzoic Acid, PubChem12741, ACMC-1BSUZ, AC1Q2FHY, AC1MC08M, 3-methyl-2-iodobenzoic acid, SCHEMBL350506, 2-Iodo-3-methyl benzoic acid, CTK4A5837, DTXSID50374763, PZUXUOZSSYKAMX-UHFFFAOYSA-N, ZINC404239, BUTTPARK 148\07-11, KS-00000N3C, 2-Iodo-3-methylbenzoic acid, 97%, ANW-15889, EBD216059, SBB102482, AKOS000140314, AS02261, CM12822, CS-W007789, LS10145, MCULE-5096356770, RTR-001902, TRA0047972, AJ-22291, AK-61437, AS-20027, AB0065569, DB-021221, ST2416980, TR-001902, 4CH-015217, FT-0600047, ST51040188, Z3866, EN300-39534, A-4887, J-002053, I01-11769, C8H7IO2, ACN-040600, CID2759365, 2-Iodo-3-methylbenzoic acid, 97% - 1G 1g,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.046g/mol
Monoisotopic Mass	261.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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