CAS 20780-72-7 | 1H-Indole-2,3-dione, 4-bromo- | CAS Number 20780-72-7

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20780-72-7 | 1H-Indole-2,3-dione, 4-bromo-

CAS No: 20780-72-7 Catalog No: AG002JAS MDL No:MFCD03618555

Product Description

Catalog Number:

AG002JAS

Chemical Name:

1H-Indole-2,3-dione, 4-bromo-

CAS Number:

20780-72-7

Molecular Formula:

C8H4BrNO2

Molecular Weight:

226.0269

MDL Number:

MFCD03618555

IUPAC Name:

4-bromo-1H-indole-2,3-dione

InChI:

InChI=1S/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)

InChI Key:

ITRAKBJPMLKWIW-UHFFFAOYSA-N

SMILES:

O=C1Nc2c(C1=O)c(Br)ccc2

Properties

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.943g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.029g/mol

Monoisotopic Mass:

224.943g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
QSAR study of isatin analogues as in vitro anti-cancer agents.	European journal of medicinal chemistry 20100301
2-Amino-4'-bromo-2',5-dioxo-4H,5H-pyrano[3,2-c]chromene-4-spiro-3'(2'H)-1'H-indole-3-carbonitrile N,N-dimethyl-formamide solvate.	Acta crystallographica. Section E, Structure reports online 20080601
Biological targets for isatin and its analogues: Implications for therapy.	Biologics : targets & therapy 20070601
In vitro cytotoxicity evaluation of some substituted isatin derivatives.	Bioorganic & medicinal chemistry 20070115