AG0020KZ

175203-85-7 | 3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester

AG0020KZ

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CAS Number	175203-85-7
Catalog Number	AG0020KZ(AGN-PC-0O4YTG)
Chemical Name	3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester
IUPAC Name	ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate
InChI	InChI=1S/C13H10F3NO4/c1-2-20-12(19)9-6-17-10-4-3-7(21-13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)
InChI Key	FLAKCZOPSFMNJL-UHFFFAOYSA-N
MDL Number	MFCD00219847
Molecular Formula	C13H10F3NO4
Molecular Weight	301.2180
SMILES	CCOC(=O)C1=C(O)C2=C(C=CC(OC(F)(F)F)=C2)N=C1
Synonyms	Ethyl 4-hydroxy-6-(trifluoromethoxy)quinoline-3-carboxylate, 175203-85-7, 361367-24-0, 4-Oxo-6-trifluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, AK-63047, 4-Hydroxy-6-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester, ethyl 4-oxo-6-(trifluoromethoxy)-1,4-dihydroquinoline-3-carboxylate, ethyl 4-oxo-6-(trifluoromethoxy)-1,4-dihydro-3-quinolinecarboxylate, 1,4-Dihydro-4-oxo-6-(trifluoromethoxy)-3-quinolinecarboxylic acid ethyl ester, ethyl 4-oxo-6-(trifluoromethoxy)hydroquinoline-3-carboxylate, FLAKCZOPSFMNJL-UHFFFAOYSA-N, ZERO/003355, Maybridge1_004964, AC1LF59P, SCHEMBL6197990, SCHEMBL18589529, CTK4D5569, CTK6F5692, HMS555J14, KS-00000GTX, DTXSID70352326, ZINC8648558, ZX-AP000435, ANW-55549, MFCD00219847, MFCD02647170, PC3247, SBB012705, STK763290, AKOS005616233, AKOS015856159, CCG-246276, MCULE-6105815580, PS-7129, VQ10395, ACM175203857, AJ-57827, BC223589, CC-28013, ST037380, AX8014513, DB-026579, TR-007865, CS-0080627, EU-0052613, FT-0626091, UX00004210, C-5761, C-18804, I08-946, SR-01000530600, SR-01000530600-1, 6-Trifluoromethoxy-4-hydroxy-3-ethoxycarbonylquinoline, Ethyl 4-hydroxy-6-(trifluoromethoxy)quinoline-3carboxylate, ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate, ETHYL4-HYDROXY-6-(TRIFLUOROMETHOXY)QUINOLINE-3-CARBOXYLATE, 3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester, 3-Quinolinecarboxylicacid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester, 3-Quinolinecarboxylicacid,4-hydroxy-6-(trifluoromethoxy)-,ethyl ester, 128426-96-0, CID723202,

Complexity	461
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.056g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.221g/mol
Monoisotopic Mass	301.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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