AG002Q1S

249736-95-6 | 2(1H)-Quinolinone, 6,7-dimethoxy-4-(trifluoromethyl)-

AG002Q1S

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CAS Number	249736-95-6
Catalog Number	AG002Q1S(AGN-PC-0KL6UL)
Chemical Name	2(1H)-Quinolinone, 6,7-dimethoxy-4-(trifluoromethyl)-
IUPAC Name	6,7-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
InChI	InChI=1S/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-5H,1-2H3,(H,16,17)
InChI Key	FDHBZTIGKGJGPF-UHFFFAOYSA-N
MDL Number	MFCD06654703
Molecular Formula	C12H10F3NO3
Molecular Weight	273.2079
SMILES	O=C1NC2=C(C=C(OC)C(OC)=C2)C(C(F)(F)F)=C1
Synonyms	6,7-Dimethoxy-4-(trifluoromethyl)quinolin-2(1H)-one, 249736-95-6, 6,7-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one, AK-55160, AC1MDR2K, SCHEMBL6678538, CTK8C2725, KS-00000OZI, DTXSID60383205, FDHBZTIGKGJGPF-UHFFFAOYSA-N, ZINC6665439, 1939AB, ANW-68919, MFCD06654703, AKOS002377234, AJ-56559, DS-14702, AX8216463, 4CH-016946, CS-0041239, 6,7-dimethoxy-4-trifluoromethyl-2-(1H)-quinolone, 4-(Trifluoromethyl)-6,7-dimethoxyquinoline-2(1H)-one, C12H10F3NO3, ACN-051714, CID2794425, 2(1H)-Quinolinone, 6,7-dimethoxy-4-(trifluoromethyl)-,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.061g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.211g/mol
Monoisotopic Mass	273.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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