AG0081PT

112857-68-8 | 2,4-Difluoro-3-methylbenzoic acid

AG0081PT

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CAS Number	112857-68-8
Catalog Number	AG0081PT(AGN-PC-0001IP)
Chemical Name	2,4-Difluoro-3-methylbenzoic acid
IUPAC Name	2,4-difluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	OCJDCFUHHBCTFI-UHFFFAOYSA-N
MDL Number	MFCD03265223
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	CC1=C(F)C(C(O)=O)=CC=C1F
Synonyms	2,4-Difluoro-3-methylbenzoic acid, 112857-68-8, 2,4-Difluoro-3-methylbenzoicacid, Benzoic acid,2,4-difluoro-3-methyl-, AK-32867, PubChem4943, ACMC-20a0sy, SCHEMBL1192063, CTK4A8000, DTXSID80553847, OCJDCFUHHBCTFI-UHFFFAOYSA-N, ACT12005, KS-00000L1J, 2,4-difluoro-3-methyl-benzoic acid, ANW-51968, FCH920984, MFCD03265223, ZINC19616029, AKOS006345223, AC-3955, AS01849, AS05002, CD-1210, GS-4456, LF10805, VZ22569, Benzoic acid, 2,4-difluoro-3-methyl-, AJ-74030, AN-12436, BR-32867, SY046769, AB0034818, AX8041189, ST2409113, TC-140713, 4CH-013955, FT-0655362, X9035, MFCD03265223 (95%), S-4188, I01-4577, S01-0628, 2,6-Difluoro-m-toluic acid, C8H6F2O2, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

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	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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