AG0039ZC

103877-76-5 | 3,5-Difluoro-4-methylbenzoic acid

AG0039ZC

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CAS Number	103877-76-5
Catalog Number	AG0039ZC(AGN-PC-0NCACJ)
Chemical Name	3,5-Difluoro-4-methylbenzoic acid
IUPAC Name	3,5-difluoro-4-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key	DGTRDHAJCIKUSV-UHFFFAOYSA-N
MDL Number	MFCD20545741
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(O)C1=CC(F)=C(C)C(F)=C1
Synonyms	3,5-DIFLUORO-4-METHYLBENZOIC ACID, 103877-76-5, SCHEMBL1105952, CL8894, MFCD20545741, ZINC75561823, AKOS022638402, FCH1198599, AS-46132, PC301201, AX8267149, X-3691, 3,5-difluoro-4-methyl-benzoic Acid, CID10888371,

Complexity	172
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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