AG00C6UK

328955-61-9 | 6-broMo-4-trifluoroMethylquinolin-2(1H)-one

AG00C6UK

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CAS Number	328955-61-9
Catalog Number	AG00C6UK(AGN-PC-03N9DU)
Chemical Name	6-broMo-4-trifluoroMethylquinolin-2(1H)-one
IUPAC Name	6-bromo-4-(trifluoromethyl)-1H-quinolin-2-one
InChI	InChI=1S/C10H5BrF3NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-4H,(H,15,16)
InChI Key	ADHTUPXAZQRIKI-UHFFFAOYSA-N
MDL Number	MFCD11846359
Molecular Formula	C10H5BrF3NO
Molecular Weight	292.0520
SMILES	BrC2=CC=C1NC(C=C(C1=C2)C(F)(F)F)=O
Synonyms	6-bromo-4-(trifluoromethyl)quinolin-2(1H)-one, 328955-61-9, 6-bromo-4-trifluoroMethylquinolin-2(1H)-one, 2(1H)-Quinolinone, 6-bromo-4-(trifluoromethyl)-, MFCD11846359, 6-bromo-4-(trifluoromethyl)-1H-quinolin-2-one, 6-bromo-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one, SCHEMBL1771119, CTK1B2082, KS-00000OST, DTXSID50624250, BCP26469, ZX-RL003900, ABP001150, ANW-50744, ZINC71787945, AKOS015834566, DS-1200, AK-49024, BR-49024, CJ-21533, PC400713, AB0028302, AJ-118525, AX8213025, DB-023533, 4CH-010511, CS-0041128, FT-0689283, X0374, AZ0001-0564, 6-Bromo-2-hydroxy-4-(trifluoromethyl)quinolin, S-5135, 4-(Trifluoromethyl)-6-bromoquinoline-2(1H)-one, C10H5BrF3NO, 6-bromo-4-trifluoromethyl-quinolin-2(1H)-one,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.951g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.055g/mol
Monoisotopic Mass	290.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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