AG003FS8

367954-99-2 | 2,4-Difluoro-5-methylbenzoic acid

AG003FS8

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CAS Number	367954-99-2
Catalog Number	AG003FS8(AGN-PC-0RCQSZ)
Chemical Name	2,4-Difluoro-5-methylbenzoic acid
IUPAC Name	2,4-difluoro-5-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key	YWQRTHMEMOUEPW-UHFFFAOYSA-N
MDL Number	MFCD09835285
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	FC1=C(C(=O)O)C=C(C(=C1)F)C
Synonyms	2,4-Difluoro-5-methylbenzoic acid, 367954-99-2, 2,4-Difluoro-5-methylbenzoicacid, MFCD09835285, Benzoic acid,2,4-difluoro-5-methyl-, 2,4-difluoro-5-methyl-benzoic Acid, PubChem8228, SCHEMBL11948576, CTK4H7158, DTXSID40450388, KS-00000L6Z, ANW-49795, BBL103296, STL557106, ZINC19616032, AKOS005257670, AM62232, AS05003, CS-W017622, GS-4122, LF10806, LS10201, MCULE-9322203071, QC-7443, RP23424, TRA0092766, VZ22572, AJ-74031, AK-34879, BR-34879, SY047065, AB0024503, DB-069439, TC-138540, 4CH-006007, A6333, FT-0656589, ST24032282, W5791, MFCD09835285 (97%), S-3911, I01-6800, J-507203, Z1342208412, C8H6F2O2, CID10975945, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE, 368-77-4,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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