AG0020DC

17515-74-1 | 3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-

AG0020DC

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CAS Number	17515-74-1
Catalog Number	AG0020DC(AGN-PC-0KL1HX)
Chemical Name	3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-
IUPAC Name	5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid
InChI	InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
InChI Key	NURNFMNHTHXTDS-UHFFFAOYSA-N
MDL Number	MFCD00275563
Molecular Formula	C7H5F3O3
Molecular Weight	194.1080
SMILES	CC1=CC(C(O)=O)=C(O1)C(F)(F)F
Synonyms	17515-74-1, 5-methyl-2-(trifluoromethyl)furan-3-carboxylic Acid, 5-METHYL-2-(TRIFLUOROMETHYL)-3-FUROIC ACID, 5-Methyl-2-trifluoromethyl-furan-3-carboxylic acid, 3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-, 2-trifluoromethyl-5-methyl-3-furancarboxylic acid, 5-methyl-2-trifluoromethylfuran-3-carboxylic acid, AC1MD1QN, AC1Q2HR6, SCHEMBL885485, C7H5F3O3, CTK4D5380, DTXSID20381964, NURNFMNHTHXTDS-UHFFFAOYSA-N, ZINC158508, KS-00003KE1, ANW-66325, MFCD00275563, SBB091680, AKOS006228011, FS-1442, MCULE-8185828993, NE54820, RP03945, 2-trifluoromethyl-5-methyl-3-furoic acid, 5-methyl-2-trifluoromethyl-3-furoic acid, AC-28137, AJ-15203, AM807363, DB-011364, TC-063331, FT-0620598, Y7901, 2-(Trifluoromethyl)-5-methylfuran-3-carboxylic acid, 5-methyl-2-(trifluoromethyl)-3-furancarboxylic acid, W-206132, 3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)-, I14-11114, 5-methyl-2-(trifluoromethyl)-3-furoic acid, AldrichCPR, CID2782183, 5-Methyl-2-trifluoromethyl-furan-3-carboxylicacid,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.109g/mol
Monoisotopic Mass	194.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P330+P331-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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