AG001XJM

1677-48-1 | 1H-​Indole-​2,​3-​dione, 5,​6-​dichloro-

AG001XJM

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CAS Number	1677-48-1
Catalog Number	AG001XJM(AGN-PC-0NED7F)
Chemical Name	1H-​Indole-​2,​3-​dione, 5,​6-​dichloro-
IUPAC Name	5,6-dichloro-1H-indole-2,3-dione
InChI	InChI=1S/C8H3Cl2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChI Key	KIFKRDLEAQUAAW-UHFFFAOYSA-N
MDL Number	MFCD06797894
Molecular Formula	C8H3Cl2NO2
Molecular Weight	216.0209
SMILES	O=C1c2c(NC1=O)cc(c(c2)Cl)Cl
Synonyms	5,6-dichloro-1H-indole-2,3-dione, 1677-48-1, 5,6-Dichloroindoline-2,3-dione, 5,6-dichloroisatin, AK-39245, 5,6-Dichlorisatin, Isatin-based compound, 52, SCHEMBL734206, CHEMBL222988, 5,6-Dichloroindole-2,3-dione, BDBM22832, CTK4D2747, DTXSID20451737, KIFKRDLEAQUAAW-UHFFFAOYSA-N, KS-00000I3L, ANW-45068, MFCD06797894, ZINC14979614, AKOS015850124, 1H-Indole-2,3-dione,5,6-dichloro-, CD-1559, FCH1382414, MP-1036, QC-9716, 1H-Indole-2,3-dione, 5,6-dichloro-, AJ-65536, AS-18151, SC-99623, 5,6-bis(chloranyl)-1H-indole-2,3-dione, AB0022726, AX8163744, DB-011394, TC-010073, 4CH-008935, CS-0060134, FT-0619815, ST24029236, W3647, 5,6-dichloro-2,3-dihydro-1H-indole-2,3-dione, A810901, I10-0645, C8H3Cl2NO2, ACN-048930, CID11009341,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.017g/mol
Monoisotopic Mass	214.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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