AG003LIQ

574-92-5 | 4-Hydroxy-7-(trifluoromethyl)-quinoline-3-carboxylic acid

AG003LIQ

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CAS Number	574-92-5
Catalog Number	AG003LIQ(AGN-PC-0OCKRF)
Chemical Name	4-Hydroxy-7-(trifluoromethyl)-quinoline-3-carboxylic acid
IUPAC Name	4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
InChI	InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChI Key	BIRIVPOTERXIOW-UHFFFAOYSA-N
MDL Number	MFCD00006771
Molecular Formula	C11H6F3NO3
Molecular Weight	257.1654
SMILES	O=C(C1=C(O)C2=CC=C(C(F)(F)F)C=C2N=C1)O
Synonyms	574-92-5, 4-Hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid, 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid, 51776-97-7, 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid, BRN 0249406, EINECS 209-377-8, 4-hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid, MFCD00006771, 4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 4-hydroxy-7-(trifluoromethyl)-, 1,4-Dihydro-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid, J-640179, W-203162, EINECS 257-414-1, AC1Q4JQI, AC1L29RV, 4-22-00-02331 (Beilstein Handbook Reference), MLS000552094, CHEMBL386466, SCHEMBL2978109, CTK1G9895, CTK1H1489, KS-00003TQV, PC4869G, BIRIVPOTERXIOW-UHFFFAOYSA-N, HMS2171L11, HMS3311A07, ZINC8672456, ZX-AL000473, ZX-AP007934, 5901AE, BBL027607, CCG-16539, HTS028574, SBB038260, STK526599, STK584337, AKOS000268308, AKOS001629451, MCULE-3544993033, NCGC00246260-01, AJ-73977, BP-12458, CC-19514, SMR000145818, TS-03465, AX8097834, DB-053060, LS-141650, EU-0038081, FT-0632419, ST50160316, VU0561866-2, 3-Carboxy-4-hydroxy-7-(trifluoromethyl)quinoline, C-30797, SR-01000432012, I04-9520, J-800180, SR-01000432012-1, 7-trifluoromethyl-4-hydroxyquinoline-3-carboxylic acid, 4-Hydroxy-7-trifluoromethyl-quinoline-3-carboxylic acid, F0910-1424, F3267-0070, 3-Quinolinecarboxylicacid, 4-hydroxy-7-(trifluoromethyl)-, 4-Hydroxy-7-(trifluoromethyl)-quinoline-3-carboxylic acid, 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid, 1,4-Dihydro-4-oxo-7-(trifluoromethyl)-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-7-(trifluoromethyl)-, 3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-7-(trifluoromethyl)-, 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid, technical grade, 85%, p-Phenylenedipropionic acid, C11H6F3NO3, CID68459, C11-H6-F3-N-O3,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.03g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.168g/mol
Monoisotopic Mass	257.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number