AG003MT3

54811-38-0 | 5-Iodo-2-methylbenzoic acid

AG003MT3

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CAS Number	54811-38-0
Catalog Number	AG003MT3(AGN-PC-0JTXYT)
Chemical Name	5-Iodo-2-methylbenzoic acid
EC Number	611-200-8
IUPAC Name	5-iodo-2-methylbenzoic acid
InChI	InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	WUBHOZQZSHGUFI-UHFFFAOYSA-N
MDL Number	MFCD01570258
Molecular Formula	C8H7IO2
Molecular Weight	262.0444
SMILES	IC1=CC(=C(C=C1)C)C(=O)O
Synonyms	5-Iodo-2-methylbenzoic acid, 54811-38-0, 5-Iodo-2-Methyl Benzoic Acid, 2-Methyl-5-Iodobenzoic acid, 5-Iodo-2-methylbenzoicacid, Benzoic acid, 5-iodo-2-methyl-, WUBHOZQZSHGUFI-UHFFFAOYSA-N, PubChem4520, 5-Iodo-o-toluic Acid, AC1LDMV6, ACMC-1AO6V, KSC497O5N, 5-iodo-2-methyl-benzoic acid, SCHEMBL1320693, 5-Iodo-2-methylbenzoic acid #, CTK3J7756, KS-00000CTV, DTXSID40347446, Benzoic acid, 3-iodo-6-methyl-, ACT01099, BCP08718, CS-D1105, ANW-32194, CI-118, MFCD01570258, QC-408, SBB063513, ZINC14989452, AKOS005146256, AC-1065, AN-5125, AS00855, CM12825, DS-0278, LS11399, MCULE-8500654995, RP29324, RTR-019371, TRA0032347, AJ-66715, AK-23836, BC219784, BR-23836, H338, SC-19995, SY021476, AB0012992, DB-007063, ST2412052, TR-019371, 4CH-006277, AM20040694, C2941, FT-0647685, I0916, TL80074023, MFCD01570258 (95%), A-3201, 811I380, I01-1907, J-517636, Z1431904351, C8H7IO2, CID621745, ACN-028631, A7965, EC 611-200-8, AE-562/43287086,

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

Lot Number