AG003FF9

773869-50-4 | 2,3,5-Trifluoro-4-methylbenzoic acid

AG003FF9

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CAS Number	773869-50-4
Catalog Number	AG003FF9(AGN-PC-03Y534)
Chemical Name	2,3,5-Trifluoro-4-methylbenzoic acid
IUPAC Name	2,3,5-trifluoro-4-methylbenzoic acid
InChI	InChI=1S/C8H5F3O2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,1H3,(H,12,13)
InChI Key	BLYIPGURQKHLOM-UHFFFAOYSA-N
MDL Number	MFCD00456800
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	CC1=C(F)C=C(C(O)=O)C(F)=C1F
Synonyms	2,3,5-TRIFLUORO-4-METHYLBENZOIC ACID, 773869-50-4, 4-Methyl-2,3,5-trifluorobenzoic acid, SCHEMBL3599082, KS-00000CMA, ZINC2565579, 5326AJ, KM1850, MFCD00456800, 2,3,5-Trifluoro-4-methylbenzoicAcid, AKOS015892995, FCH1156703, TRA0047093, AJ-41133, AS-31938, PC448033, SC-21991, SY009676, AB0065278, AX8269119, DB-075304, TC-306898, FT-0715773, MFCD00456800 (97+%), I04-1546, C8H5F3O2, 217806-26-3,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

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