CAS 6341-92-0 | 6-Chloroisatin | CAS Number 6341-92-0

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6341-92-0 | 6-Chloroisatin

CAS No: 6341-92-0 Catalog No: AG003N6J MDL No:MFCD00086347

Product Description

Catalog Number:

AG003N6J

Chemical Name:

6-Chloroisatin

CAS Number:

6341-92-0

Molecular Formula:

C8H4ClNO2

Molecular Weight:

181.5759

MDL Number:

MFCD00086347

IUPAC Name:

6-chloro-1H-indole-2,3-dione

InChI:

InChI=1S/C8H4ClNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)

InChI Key:

RVXLBLSGEPQBIO-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)NC(=O)C2=O

NSC Number:

48609

Properties

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.575g/mol

Monoisotopic Mass:

180.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
1-Benzyl-6-chloro-indoline-2,3-dione.	Acta crystallographica. Section E, Structure reports online 20111201
Biological targets for isatin and its analogues: Implications for therapy.	Biologics : targets & therapy 20070601
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.	Journal of medicinal chemistry 20070419