AG002JAO

20780-77-2 | 1H-Indole-2,3-dione, 6-iodo-

AG002JAO

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CAS Number	20780-77-2
Catalog Number	AG002JAO(AGN-PC-00193D)
Chemical Name	1H-Indole-2,3-dione, 6-iodo-
IUPAC Name	6-iodo-1H-indole-2,3-dione
InChI	InChI=1S/C8H4INO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChI Key	PHKAOEGXBSERHX-UHFFFAOYSA-N
MDL Number	MFCD01925283
Molecular Formula	C8H4INO2
Molecular Weight	273.0273
SMILES	O=C1NC2=C(C=CC(I)=C2)C1=O
Synonyms	20780-77-2, 6-Iodoisatin, 6-iodo-1H-indole-2,3-dione, 6-Iodoindoline-2,3-dione, 1H-Indole-2,3-dione, 6-iodo-, 6-IODO-2,3-DIHYDRO-1H-INDOLE-2,3-DIONE, ACMC-20aqj4, 6-Iodo-2,3-indolinedione, 6-iodo-1H-indole-2,3dione, SCHEMBL3467211, CTK4E5090, DTXSID30559672, PHKAOEGXBSERHX-UHFFFAOYSA-N, ZINC5945548, 0637AB, MFCD01925283, AKOS015853854, MB02172, MCULE-2114244883, AJ-55295, AK119566, AM807771, CJ-12819, SY059763, AB0048136, DB-022210, TR-036124, CS-0037862, FT-0727782, KS-00000081, MFCD01925283 (95%), 6P-727, W-4064, C8H4INO2, BUTTPARK148\07-02, 67459-49-8,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.929g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.029g/mol
Monoisotopic Mass	272.929g/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

Lot Number