AG00248C

1829-21-6 | Benzoic acid, 2-iodo-4-methyl-

AG00248C

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CAS Number	1829-21-6
Catalog Number	AG00248C(AGN-PC-0L8JGD)
Chemical Name	Benzoic acid, 2-iodo-4-methyl-
IUPAC Name	2-iodo-4-methylbenzoic acid
InChI	InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key	WNVUYAMRIXEZAT-UHFFFAOYSA-N
MDL Number	MFCD01312232
Molecular Formula	C8H7IO2
Molecular Weight	262.0444
SMILES	O=C(O)C1=CC=C(C)C=C1I
Synonyms	2-iodo-4-methylbenzoic acid, 1829-21-6, Benzoic acid, 2-iodo-4-methyl-, 3-iodo-4-toluic acid, ACMC-20aj0t, AC1N7UYG, 4-methyl-2-iodobenzoic acid, SCHEMBL9741686, KS-00000TEN, WNVUYAMRIXEZAT-UHFFFAOYSA-, DTXSID10401569, WNVUYAMRIXEZAT-UHFFFAOYSA-N, ZINC6281985, ANW-75579, MFCD01312232, SC5074, AKOS027252479, AK201253, AS-10131, TC-164324, CS-0041338, X-3424, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11), 3-Iodo-p-toluic Acid, 2-iodo-4-methyl-benzoic Acid, CID4285392, 82998-57-0,

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

Certificate of Analysis

Lot Number