AG006SF2

96187-53-0 | 6-FLUORO-2-(2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID

AG006SF2

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CAS Number	96187-53-0
Catalog Number	AG006SF2(AGN-PC-0JL1R5)
Chemical Name	6-FLUORO-2-(2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID
IUPAC Name	6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
InChI	InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
InChI Key	PHEZJEYUWHETKO-UHFFFAOYSA-N
MDL Number	MFCD00866437
Molecular Formula	C23H15F2NO2
Molecular Weight	375.3675
SMILES	O=C(C1=C(C)C(C2=CC=C(C3=CC=CC=C3F)C=C2)=NC4=CC=C(F)C=C14)O
UNII	5XL19F49H6
Synonyms	6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarboxylic acid, brequinar, brequinar potassium, brequinar sodium, DuP 785, DuP-785, NSC 368390, NSC-368390, Brequinar, 96187-53-0, 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid, brequinarum [Latin], Brequinar [INN], Biphenquinate, NSC 368390, Brequinarum [INN-Latin], 6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid, UNII-5XL19F49H6, C23H15F2NO2, 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid, NSC-368390, PHEZJEYUWHETKO-UHFFFAOYSA-N, 5XL19F49H6, Dup 785, 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID, brequinarum, 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid, 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-, 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-, 4-Quinolinecarboxylic acid,6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4- yl)-3-methyl-, brequinar potassium, BRF, NSC368390, Brequiner, Bipenquinate;, 6-fluoro-2-{2'-fluoro-[1,1'-biphenyl]-4-yl}-3-methylquinoline-4-carboxylic acid, Neuro_000208, SCHEMBL49400, CHEMBL38434, AC1L1M61, DUP785, DUP785; Biphenquinate; BPQ, GTPL7406, BDBM15339, CTK8B7555, DTXSID00242165, BCP06006, EX-A1515, ZINC1587011, ANW-57662, MFCD00866437, AKOS016001465, CS-7842, DB03523, RL06083, YF10042, 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarboxylic acid, 4CA-0316, AJ-27598, AK-57016, DS-15411, NCI60_003391, AB0032575, DB-080409, HY-108325, LS-178286, TC-146407, FT-0757290, X5917, J-515994, Z2465619914, 2-(2'-Fluoro-1,1'-biphenyl-4-yl)-6-fluoro-3-methyl-4-quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro-1,1 '-biphe-nyl-4-yl)-3-methyl-4-quinolinecarboxylic acid, 6-Fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid #, 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid, (*Sodium sal*), Not Available, BREQUINAR SODIUM, Dup-785, D0N3XT, cc-183, CID57030, C23-H15-F2-N-O2, CB10449, A12442, C046943, 96201-88-6, BPQ,

Complexity	551
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	375.107g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	375.375g/mol
Monoisotopic Mass	375.107g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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