AG003QAZ

23851-84-5 | Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

AG003QAZ

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CAS Number	23851-84-5
Catalog Number	AG003QAZ(AGN-PC-0O84P3)
Chemical Name	Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate
EC Number	245-914-2
IUPAC Name	ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate
InChI	InChI=1S/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChI Key	XSNJFNKOHAUNPO-UHFFFAOYSA-N
MDL Number	MFCD00173387
Molecular Formula	C13H10F3NO3
Molecular Weight	285.2186
NSC Number	103777
SMILES	O=C(C1=C(O)C2=CC=CC(C(F)(F)F)=C2N=C1)OCC
Synonyms	23851-84-5, Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate, Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate, 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester, Ethyl 4-hydroxy-8-trifluoromethylquinoline-3-carboxylate, 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester, XSNJFNKOHAUNPO-UHFFFAOYSA-N, 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester, AK-78876, J-650139, ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate, 4-Hydroxy-8-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester, NSC103777, PubChem6099, ACMC-1CLEV, AC1L6FVI, AC1Q4JU6, MLS000716352, CHEMBL68141, SCHEMBL1125003, Jsp004772, CTK4F2415, KS-00000BDK, HMS2634J23, HMS3359C02, ZINC5424348, ZX-AL000785, ZX-AP001528, ANW-25243, ethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate, MFCD00173387, PC8131, SBB015016, STK787536, STK942312, AKOS000271247, AKOS005671560, AB04334, AC-3044, MCULE-8949632876, NSC-103777, TRA0070824, ACM23851845, AJ-54024, BAS 02168013, CC-19516, SC-02760, SMR000277869, SY003655, AB0056094, AB1001683, AX8014509, TR-011048, 3-Carboethoxy-8-trifluoromethyl-4-quinolinol, BB 0221680, EU-0073823, FT-0638361, V4594, 6J-026, Z-3541, MFCD00173387 (97+%), C-17948, SR-01000453230, SR-01000453230-1, 4-HYDROXY-8-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLI, Ethyl4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate, 3-Quinolinecarboxylicacid,4-hydroxy-8-(trifluoromethyl)-,ethyl ester, 4-Hydroxy-8-trifluoromethyl-quinoline-3-carbo xylic acid ethyl ester, ETHYL 8-(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLATE, 3-Quinolinecarboxylicacid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester, 4-HYDROXY-8-TRIFLUOROMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER, null, C13H10F3NO3, NSC 103777, EINECS 245-914-2, AR-1I9249, C13-H10-F3-N-O3, CID266337, 3-Quinolinecarboxylic acid, ethyl ester, BRN 0490314, 4-HYDROXY-8- QUINOLINE-3-CARBOXYLICETHYLESTER, 23959-38-8, 31601-87-3,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.061g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.222g/mol
Monoisotopic Mass	285.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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