AG003LIH

49713-51-1 | 6-(Trifluoromethyl)quinolin-4-ol

AG003LIH

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CAS Number	49713-51-1
Catalog Number	AG003LIH(AGN-PC-0OB1MH)
Chemical Name	6-(Trifluoromethyl)quinolin-4-ol
IUPAC Name	6-(trifluoromethyl)-1H-quinolin-4-one
InChI	InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChI Key	CEIVPELVRVTMJW-UHFFFAOYSA-N
MDL Number	MFCD00209673
Molecular Formula	C10H6F3NO
Molecular Weight	213.1559
SMILES	OC1=CC=NC2=C1C=C(C=C2)C(F)(F)F
Synonyms	49713-51-1, 6-(trifluoromethyl)quinolin-4-ol, 4-Hydroxy-6-(trifluoromethyl)quinoline, 6-(Trifluoromethyl)quinolin-4(1H)-one, 6-(Trifluoromethyl)-4-quinolinol, 6-(trifluoromethyl)-1H-quinolin-4-one, 949507-45-3, 6-trifluoromethyl-4-quinolinol, 6-Trifluoromethyl-quinolin-4-ol, 4-Quinolinol,6-(trifluoromethyl)-, 4-Hydroxy-6-trifluoromethylquinoline, 4-Quinolinol, 6-(trifluoromethyl)-, MFCD00209673, ACMC-1ASRN, AC1MCQ09, SCHEMBL4421437, CTK4J1583, DTXSID60379406, CEIVPELVRVTMJW-UHFFFAOYSA-N, ZINC156129, ACN-S003160, ZX-AP000242, ANW-54992, CH-479, PC3759, SBB094756, AKOS002337477, AC-3049, FS-1145, MCULE-7819410664, TRA0058908, VQ10493, ACM49713511, KS-0000099K, AJ-13705, AN-13364, CC-22309, CJ-01483, SC-26945, SY003662, ZB006215, 4(1H)-Quinolinone, 6-(trifluoromethyl)-, AB0066355, AB1001689, AX8012524, DB-051672, TR-017853, BB 0241045, CS-0063916, FT-0618659, ST50407039, UX00000174, V6191, 6-(trifluoromethyl)-1,4-dihydroquinolin-4-one, C-5732, MFCD00209673 (97+%), A827820, C-11217, I08-0479, C10H6F3NO, CID2775135, 10386-27-3,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.159g/mol
Monoisotopic Mass	213.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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