AG003B5N

32890-88-3 | 2,6-Difluoro-3-Methylbenzoic Acid

AG003B5N

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CAS Number	32890-88-3
Catalog Number	AG003B5N(AGN-PC-0R8AJE)
Chemical Name	2,6-Difluoro-3-Methylbenzoic Acid
IUPAC Name	2,6-difluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	QZIVNVIPFGKDQE-UHFFFAOYSA-N
MDL Number	MFCD01631332
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(O)C1=C(F)C=CC(C)=C1F
Synonyms	2,6-Difluoro-3-methylbenzoic acid, 32890-88-3, 2,6-difluoro-3-methyl-benzoic Acid, 2,6-Difluoro-m-toluic acid, MFCD01631332, AC1MCO01, ACMC-1AF95, 3-Carboxy-2,4-difluorotoluene, SCHEMBL1018937, CTK4G9505, DTXSID90378907, QZIVNVIPFGKDQE-UHFFFAOYSA-N, JRD-1011, ZINC2574947, SBB088584, AKOS005258506, Benzoic acid,2,6-difluoro-3-methyl-, JS-4165, MCULE-2714759220, KS-0000105E, AJ-42285, 2,6-Difluoro-3-methylbenzoic acid, 97+%, TR-039888, ST50407377, X-4019, I01-20268, 2,6-Difluoro-3-methylbenzoicacid, CID2774142, 2,6-Difluoro-3-methylbenzoic acid, 97% 1g,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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