AG003L63

401567-85-9 | 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline

AG003L63

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CAS Number	401567-85-9
Catalog Number	AG003L63(AGN-PC-0KKVOL)
Chemical Name	4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline
IUPAC Name	4-chloro-8-fluoro-2-(trifluoromethyl)quinoline
InChI	InChI=1S/C10H4ClF4N/c11-6-4-8(10(13,14)15)16-9-5(6)2-1-3-7(9)12/h1-4H
InChI Key	CFSUQVZKCFPECU-UHFFFAOYSA-N
MDL Number	MFCD01570536
Molecular Formula	C10H4ClF4N
Molecular Weight	249.5921
SMILES	FC(C1=NC2=C(F)C=CC=C2C(Cl)=C1)(F)F
Synonyms	4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline, 401567-85-9, ACMC-209jbb, AC1MCNG4, AC1Q4MZM, SCHEMBL2711028, CTK4I2552, DTXSID50378706, ZINC161590, ZX-AP012126, ANW-29301, MFCD01570536, PC7343, SBB100631, AKOS009159161, AC-7385, AN-9070, AS-9293, RP06098, RTR-016023, TRA0163691, KS-00000E26, AJ-15770, BP-10971, CJ-01975, SY005989, AB0041284, AX8096196, DB-030355, TR-016023, FT-0749618, Y9014, B-3594, MFCD01570536 (97+%), Quinoline,4-chloro-8-fluoro-2-(trifluoromethyl)-, I08-0477, J-515136, C10H4ClF4N, ZINC00161590, CID2773779,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.997g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.593g/mol
Monoisotopic Mass	248.997g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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