AG003LIU

23779-95-5 | 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid

AG003LIU

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CAS Number	23779-95-5
Catalog Number	AG003LIU(AGN-PC-0O84KB)
Chemical Name	4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid
EC Number	245-878-8
IUPAC Name	4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
InChI	InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChI Key	GQZVPBYGGIQINZ-UHFFFAOYSA-N
MDL Number	MFCD00047603
Molecular Formula	C11H6F3NO3
Molecular Weight	257.1654
NSC Number	102792
SMILES	O=C(C1=C(O)C2=CC=CC(C(F)(F)F)=C2N=C1)O
Synonyms	23779-95-5, 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid, 4-Hydroxy-8-(trifluoromethyl)-3-quinoline-carboxylic acid, 4-Hydroxy-8-trifluoromethyl-quinoline-3-carboxylic acid, 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid, 4-hydroxy-8-trifluoromethylquinoline-3-carboxylic acid, 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, GQZVPBYGGIQINZ-UHFFFAOYSA-N, EINECS 245-878-8, NSC102792, PubChem6098, ACMC-1CHTS, AC1L3JLR, AC1Q4JU5, MLS000122854, SCHEMBL1125190, Jsp004756, CHEMBL1704941, CTK1A3850, KS-00000CDV, DTXSID10178466, HMS2410P12, ZINC5117246, 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(trifluoromethyl)-, ANW-25213, BBL011921, CCG-17786, MFCD00047603, SBB010207, STK656017, STL163429, AKOS000271217, AKOS005586845, MCULE-5967845216, NSC-102792, PS-7394, TRA0065292, NCGC00245510-01, 31601-88-4, AJ-53176, AN-13363, BAS 02168014, SC-02749, SMR000123454, ST069778, SY003659, AB0065656, AB1001687, DB-046243, TR-011017, BB 0221684, FT-0618682, V4590, Y-9360, AB00455776-03, MFCD00047603 (97+%), SR-01000453231, 4-Hydroxy-8-Trifluoromethyl- Quinoline-3-Carboxyli, J-015204, SR-01000453231-1, 4-hydroxy-8-trifluoromethyl-3-quinolinecarboxylic acid, 3-Quinolinecarboxylicacid,4-hydroxy-8-(trifluoromethyl)-, 4-Hydroxy-8-(trifluoromethyl)-3-quinoline-carboxylicacid, 4-hydroxy-8-trifluoro-methylquinoline-3-carboxylic acid, 4-hydroxy-8-trifluoromethyl-3 -quinoline-carboxylic acid, 4-Hydroxy-8-trifluoromethyl-quinoline-3-carbo xylic acid, 8-(Trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid, 4-hydroxy-8-(trifluoromethyl)-, 3-Quinoline-3-carboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, 4-HYDROXY-8-TRIFLUORO-METHYLQUINOLINE-3-CARBOXYLICACID, 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid, 851519-96-5, null, C11H6F3NO3, CID90260, C11-H6-F3-N-O3, AR-1G2792, 4-HYDROXY-8- QUINOLINE-3-CARBOXYLICACID, 2431-00-7,

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

Certificate of Analysis

Lot Number