AG003J78

7499-08-3 | 3-Chloro-2-methylbenzoic acid

AG003J78

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CAS Number	7499-08-3
Catalog Number	AG003J78(AGN-PC-0JLTMN)
Chemical Name	3-Chloro-2-methylbenzoic acid
IUPAC Name	3-chloro-2-methylbenzoic acid
InChI	InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key	HXGHMCLCSPQMOR-UHFFFAOYSA-N
MDL Number	MFCD00053312
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
NSC Number	407522
SMILES	C(=O)(O)c1c(C)c(Cl)ccc1
Synonyms	3-chloro-2-methylbenzoic acid, 3-CMBA, 3-Chloro-2-methylbenzoic acid, 7499-08-3, 3-Chloro-o-toluic acid, 3-Chloro-2-methyl-benzoic acid, Benzoic acid, 3-chloro-2-methyl-, o-Toluic acid, 3-chloro-, 3-Chloro-2-methylbenzoicacid, 2-methyl-3-chlorobenzoic acid, 3-Chloro-2-methylbenzoic acid, 98%, NSC 407522, BRN 1072826, PubChem8362, AC1Q2ERY, AC1Q3OUE, 2-Carboxy-6-chlorotoluene, SCHEMBL99535, 3chloro-2-methylbenzoic acid, 3-chloro-2-methybenzoic acid, KSC497Q4T, ACMC-2097l8, AC1L32K9, 2-methyl-3-chloro-benzoic acid, 3-Chloro-2-methyl benzoic acid, 3-Chloro-2-methylbenzoic acid,, CTK3J7849, KS-00000COS, DTXSID30225946, HXGHMCLCSPQMOR-UHFFFAOYSA-N, ZINC403371, ACN-S004303, BCP24554, EBD28810, ANW-14106, NSC407522, SBB063072, AKOS005258513, AC-5777, AS02815, CM12594, CS-W002261, FS-1281, MCULE-9558123036, NSC-407522, RP23301, RTR-024182, TRA0098616, AJ-22062, AK-29499, AN-10640, BR-29499, L506, SC-06622, SY014306, Benzoic acid, 3-chloro-2-methyl- (9CI), AB1004023, DB-031117, LS-154254, ST2410608, TR-024182, AM20060893, FT-0636511, ST50408236, MFCD00053312 (98%), 99C083, A-3248, A-5711, 4-09-00-01705 (Beilstein Handbook Reference), AE-562/40230280, I01-0276, J-512199, Z1741960937, InChI=1/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11, 4-Phenylazepane, C8H7ClO2, 3-Chloro-2-methyl-benzoicacid, CID82010, AR-1F2545, MFCD00045852, MFCD00053312, A1461, C2057, 3-Chloro-2-methylbenzoic acid, 98% - 1G 1g, 10003-94-8,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.013g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.592g/mol
Monoisotopic Mass	170.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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