AG003LII

49713-47-5 | 4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid

AG003LII

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CAS Number	49713-47-5
Catalog Number	AG003LII(AGN-PC-0OB1MC)
Chemical Name	4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid
IUPAC Name	4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
InChI	InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChI Key	VUPSPASQZKLXMI-UHFFFAOYSA-N
MDL Number	MFCD00236691
Molecular Formula	C11H6F3NO3
Molecular Weight	257.1654
SMILES	OC(C1=C(O)C2=C(C=CC(C(F)(F)F)=C2)N=C1)=O
Synonyms	49713-47-5, 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid, 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid, 4-hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid, 641993-21-7, 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic Acid, 4-hydroxy-6-trifluoromethyl-3-quinolinecarboxylic acid, 3-Quinolinecarboxylicacid, 4-hydroxy-6-(trifluoromethyl)-, 4-Oxo-6-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6-(trifluoromethyl)-, PubChem6094, AC1MCQ0C, SCHEMBL2334574, CTK1D5570, CTK5C0904, KS-00000CDZ, KS-00001RAD, PC4869F, ALBB-011541, ZINC3883273, ZX-AP000988, ANW-54991, BBL028448, MFCD00206334, MFCD00236691, STK661763, STL426404, AKOS002249946, AKOS005069287, MCULE-7882949468, PS-6651, RP14576, TRA0050645, VQ10223, AJ-46760, AK-78879, AN-13365, CC-19496, SY003663, AB0065652, AB0107690, AB1001690, AX8013566, DB-051671, ST4140829, TC-143736, BB 0241040, FT-0639883, oxotrifluoromethyldihydroquinolinecarboxylicacid, C-6265, MFCD00236691 (97+%), A827819, 10T-0231, I08-0141, J-515911, 4-hydroxy-6-trifluoromethylquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,4-hydroxy-6-(trifluoromethyl)-, 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylicAcid, 4-Hydroxy-6-trifluoromethyl-quinoline-3-carbo xylic acid, 6-(Trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid, F3173-0046, 4-Hydroxy-6-(trifluoromethyl)-3-quinoline-carboxylic acid, 4-oxidanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid, 4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid, AldrichCPR, null, CID2775138, 4-oxo-6- -1,4-dihydroquinoline-3-carboxylicacid, 1,4-dihydro-4-oxo-6-(trifluoromethyl)quinoline-3-carboxylic acid,

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
UN Code

Certificate of Analysis

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