AG000MCN

1245648-36-5 | 1H-Indole-2,3-dione, 7-bromo-4-fluoro-

AG000MCN

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CAS Number	1245648-36-5
Catalog Number	AG000MCN(AGN-PC-0WAGGP)
Chemical Name	1H-Indole-2,3-dione, 7-bromo-4-fluoro-
IUPAC Name	7-bromo-4-fluoro-1H-indole-2,3-dione
InChI	InChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)5-6(3)11-8(13)7(5)12/h1-2H,(H,11,12,13)
InChI Key	OTHDRAOYSKYFRW-UHFFFAOYSA-N
MDL Number	MFCD17677300
Molecular Formula	C8H3BrFNO2
Molecular Weight	244.0173
SMILES	O=C1NC2=C(C(F)=CC=C2Br)C1=O
Synonyms	7-bromo-4-fluoroindoline-2,3-dione, 1245648-36-5, 7-Bromo-4-fluoro-1H-indole-2,3-dione, 7-BROMO-4-FLUORO-ISATIN, 7-bromo-4-fluoro-2,3-dihydro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 7-bromo-4-fluoro-, 7-BROMO-4-FLUOROISATIN, DTXSID60745167, 4641AA, MFCD17677300, ZINC91301189, AKOS016012069, Bromo-4-fluoro-1H-indole-2,3-dione, MCULE-3458387059, NE16223, BC004550, QC-11594, AJ-129547, ST24045601, Z1834278453, C8H3BrFNO2, ACN-055802, 1379319-91-1, N/A,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.933g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.019g/mol
Monoisotopic Mass	242.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^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-P305+P351+P338
UN Code

Certificate of Analysis

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