AG003LER

668-24-6 | 4-Fluoro-7-methyl isatin

AG003LER

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CAS Number	668-24-6
Catalog Number	AG003LER(AGN-PC-0166RB)
Chemical Name	4-Fluoro-7-methyl isatin
IUPAC Name	4-fluoro-7-methyl-1H-indole-2,3-dione
InChI	InChI=1S/C9H6FNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChI Key	GMOIUCVMHIKMDC-UHFFFAOYSA-N
MDL Number	MFCD06409071
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	CC1=C2C(C(C(N2)=O)=O)=C(F)C=C1
Synonyms	4-fluoro-7-methylisatin, 668-24-6, 4-Fluoro-7-methyl isatin, 4-fluoro-7-methylindoline-2,3-dione, 4-fluoro-7-methyl-1h-indole-2,3-dione, 4-fluoro-7-methyl-2,3-dihydro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 4-fluoro-7-methyl-, AC1Q2GPC, SCHEMBL3334809, CTK5C5268, DTXSID00588555, GMOIUCVMHIKMDC-UHFFFAOYSA-N, 6173AJ, MFCD06409071, SBB065635, ZINC22219695, AKOS000145630, AS05049, LS41096, RL04546, TRA0060067, KS-00000C52, AJ-81326, AS-31237, CJ-17368, SY021966, 4-fluoranyl-7-methyl-1H-indole-2,3-dione, TC-307697, FT-0655604, EN300-54239, Z-4657, MFCD06409071 (97+%), 4-fluoro-7-methyl-1H-benzo[d]azoline-2,3-dione, A835554, I02-1817, J-515392, C9H6FNO2, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE, 6313-54-8,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.15g/mol
Monoisotopic Mass	179.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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