AG0031X2

31009-34-4 | 6-Fluoro-2-(trifluoromethyl)quinolin-4(1h)-one

AG0031X2

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CAS Number	31009-34-4
Catalog Number	AG0031X2(AGN-PC-0O8SJL)
Chemical Name	6-Fluoro-2-(trifluoromethyl)quinolin-4(1h)-one
IUPAC Name	6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
InChI	InChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
InChI Key	FNDABQIPEQHTNR-UHFFFAOYSA-N
MDL Number	MFCD00276582
Molecular Formula	C10H5F4NO
Molecular Weight	231.1464
NSC Number	142532
SMILES	OC1=CC(C(F)(F)F)=NC2=CC=C(F)C=C12
Synonyms	31009-34-4, 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, 6-fluoro-2-(trifluoromethyl)quinolin-4-ol, 6-FLUORO-2-(TRIFLUOROMETHYL)QUINOLIN-4(1H)-ONE, 587885-83-4, 6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one, 6-Fluoro--4-hydroxy-2-(trifluoromethyl)quinoline, NSC142532, ACMC-209hk0, AC1Q4IJ6, AC1L63A0, SCHEMBL4420000, CHEMBL3727777, CTK4G6285, DTXSID80301345, PC3756X, ZINC170946, KS-00003R4R, ZX-AP001268, ANW-27022, MFCD00276582, MFCD12147920, SBB097719, STL449296, AKOS009158663, AKOS015853415, AC-7368, MCULE-5108352872, NSC-142532, PS-7707, RP27944, VQ10306, ACM31009344, 6-fluoro-2-trifluoromethyl-quinolin-4-ol, AJ-17526, CC-22742, SC-53708, SY005930, 6-Fluoro-2-(trifluoromethyl)-4-quinolinol, AX8012481, DB-047951, TR-013245, 4-Quinolinol,6-fluoro-2-(trifluoromethyl)-, FT-0621124, Z3036, 4-Quinolinol, 6-fluoro-2-(trifluoromethyl)-, MFCD00276582 (95%), 009F344, A820690, C-13449, 6-fluoranyl-2-(trifluoromethyl)-1H-quinolin-4-one, J-518729, 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, AldrichCPR, C10H5F4NO, AR-1H1681, CID285540, 6-fluoro-2-trifluoromethyl-4-quinolinone, 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, 97% - 1G 1g, 31235-50-4,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.031g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.15g/mol
Monoisotopic Mass	231.031g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number