AG003JLC

82998-57-0 | 3-Iodo-4-methylbenzoic acid

AG003JLC

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CAS Number	82998-57-0
Catalog Number	AG003JLC(AGN-PC-0WA8QY)
Chemical Name	3-Iodo-4-methylbenzoic acid
IUPAC Name	3-iodo-4-methylbenzoic acid
InChI	InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key	LDDHMKANNXWUAK-UHFFFAOYSA-N
MDL Number	MFCD00010392
Molecular Formula	C8H7IO2
Molecular Weight	262.0444
SMILES	O=C(O)C1=CC=C(C)C(I)=C1
Synonyms	3-Iodo-4-methylbenzoic acid, 82998-57-0, 3-Iodo-p-toluic Acid, 3-Iodo-4-Methyl-Benzoic Acid, MFCD00010392, Benzoic acid, 3-iodo-4-methyl-, LDDHMKANNXWUAK-UHFFFAOYSA-N, zlchem 953, 3-Iodo-p-toluicacid, PubChem3947, AC1LDMRG, 4-Carboxy-2-iodotoluene, AC1Q2FI3, AC1Q2FI4, AKOS BBB/227, AN-970/40920439, KSC449E9T, SCHEMBL590030, 3-Iodo-4-methyl benzoic acid, ARONIS023691, PARAGOS 440021, PARAGOS 440022, Benzoicacid, 3-iodo-4-methyl-, CTK3E9299, KS-00000CBQ, TIMTEC-BB SBB003083, ZLD0419, ATTERCOP-CHM AT114913, ZINC336287, ACN-S004069, ACT09319, ALBB-006209, BCP15174, 3-Iodo-4-methylbenzoic acid, 97%, ANW-37640, QC-402, SBB003083, STK019368, AKOS000137744, AC-2734, AS02264, CS-W020661, EBD1616602, MCULE-9559517033, PS-7355, RTC-067062, TRA0029566, VZ26976, NCGC00320567-01, 20039-68-3, AJ-19770, AK-51540, AN-13685, BC207738, SC-06893, SY002748, AB0017211, AB1004495, DB-024258, ST2417748, TC-067062, AM20041223, FT-0615914, I0707, EN300-68156, MFCD00010392 (98%), M-1486, AB01315040-02, 998I570, I01-2739, Z1259273197, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11, 3-iodo-4-Methylbenzoicacid, C8H7IO2, CID621640, P792, 3-Iodo-4-methylbenzoic acid, 97% - 100G 100g,

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	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number