AG003MNF

7499-06-1 | 5-Chloro-2-methylbenzoic acid

AG003MNF

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CAS Number	7499-06-1
Catalog Number	AG003MNF(AGN-PC-0WABAP)
Chemical Name	5-Chloro-2-methylbenzoic acid
EC Number	627-760-1
IUPAC Name	5-chloro-2-methylbenzoic acid
InChI	InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	CSAPESWNZDOAFU-UHFFFAOYSA-N
MDL Number	MFCD00045842
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
NSC Number	407520
SMILES	C1=C(C(=CC=C1Cl)C)C(O)=O
Synonyms	5-Chloro-2-methylbenzoic acid, 7499-06-1, 2-methyl-5-chlorobenzoic acid, 5-Chloro-o-toluic acid, Benzoic acid, 5-chloro-2-methyl-, 5-Chloro-2-Methyl-Benzoic Acid, 5-Chloro-2-methylbenzoicacid, 5-chloro-2-methyl benzoic acid, o-Toluic acid, 5-chloro-, MFCD00045842, 3-CHLORO-6-METHYLBENZOIC ACID, NSC407520, PubChem4578, AC1Q3LKQ, AC1Q2LX2, KSC173Q5R, SCHEMBL402387, ACMC-2097l7, AC1L32K6, Jsp000049, 5-chloro-2 -methylbenzoic acid, 5-Chloro-2-methylbenzoic acid,, CTK0H3858, KS-00000CBN, KS-00003KER, DTXSID70225945, CSAPESWNZDOAFU-UHFFFAOYSA-N, 5-chloranyl-2-methyl-benzoic acid, ACN-S004066, ACT01112, BCP24576, EBD51657, ZINC1599858, ANW-14105, SBB017684, 5-Chloro-2-methylbenzoic acid, 97%, AKOS005256571, AC-2720, AS02816, CS-W020714, EBD2197633, FS-1532, NSC-407520, RP23288, RP23298, RTR-024181, TRA0045631, AJ-27957, AK-32605, AN-13672, BR-32605, I790, SC-06620, SC-52163, SY002657, DB-011446, ST2411945, TL8007227, TR-024181, AM20060894, FT-0658063, FT-0688164, MFCD00045842 (98%), A-3250, A-5710, M-2806, 499C061, A838297, AE-562/43460141, I01-5239, I01-7447, J-517324, J-517325, 2-Naphthaleneacetonitrile, 4-Chloro-o-toluic acid, C8H7ClO2, cc-620, 1042-81-5, CID82009, AR-1G7754, C2509, 5-Chloro-2-methylbenzoic acid, 98% - 100G 100g, 5-Ethyl-6,7-dihydrobenzo[6,7]furo[3',4':5,6]cyclohepta[1,2-b]quinoline, 10003-69-7, 5521-56-2,

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

Certificate of Analysis

Lot Number