AG0031X4

31009-31-1 | 4-Quinolinol, 8-fluoro-2-(trifluoromethyl)-

AG0031X4

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CAS Number	31009-31-1
Catalog Number	AG0031X4(AGN-PC-0R6F4W)
Chemical Name	4-Quinolinol, 8-fluoro-2-(trifluoromethyl)-
IUPAC Name	8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
InChI	InChI=1S/C10H5F4NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
InChI Key	UQFKMXKVHWMPPC-UHFFFAOYSA-N
MDL Number	MFCD00276580
Molecular Formula	C10H5F4NO
Molecular Weight	231.1464
SMILES	OC1=CC(=NC2=C1C=CC=C2F)C(F)(F)F
Synonyms	31009-31-1, 8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, 8-Fluoro-2-(trifluoromethyl)quinolin-4-ol, 8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one, 8-Fluoro-2-(trifluoromethyl)quinolin-4(1H)-one, 587885-86-7, Maybridge1_005054, PubChem6087, ACMC-1AHIQ, 4-Quinolinol, 8-fluoro-2-(trifluoromethyl)-, AC1MC75N, SCHEMBL2709776, CTK3J0980, HMS555N16, DTXSID50371999, PC3756Y, UQFKMXKVHWMPPC-UHFFFAOYSA-N, ZINC156144, ZX-AP006843, ANW-27020, MFCD00276580, SBB097718, AKOS009159359, AKOS015853381, AC-7362, AN-9109, MCULE-7142193209, RP05550, RTR-013243, TRA0002461, VQ10371, ACM31009311, AJ-13714, AK-39434, AS-31272, CC-23373, SC-65410, SY005924, AB0040984, AX8000359, DB-047950, TR-013243, FT-0621534, ST50407078, Y8668, 8-fluoro-4-hydroxy-2-trifluoromethylquinoline, Y-8559, MFCD00276580 (97+%), C-13448, I08-0488, J-519433, 8-fluoro-2-(trifluoromethyl)-1,4-dihydroquinolin-4-one, 8-fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, AldrichCPR, C10H5F4NO, CID2737339,

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	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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