CAS 6344-05-4 | 4-Chloroisatin | CAS Number 6344-05-4

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6344-05-4 | 4-Chloroisatin

CAS No: 6344-05-4 Catalog No: AG003L7D MDL No:MFCD00129178

Product Description

Catalog Number:

AG003L7D

Chemical Name:

4-Chloroisatin

CAS Number:

6344-05-4

Molecular Formula:

C8H4ClNO2

Molecular Weight:

181.5759

MDL Number:

MFCD00129178

IUPAC Name:

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

InChI:

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

InChI Key:

HSYFISNDMZKGRS-UHFFFAOYSA-N

SMILES:

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

NSC Number:

49794

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
4-Chloro-1-methyl-indoline-2,3-dione.	Acta crystallographica. Section E, Structure reports online 20120101
1-Benzyl-4-chloro-indoline-2,3-dione.	Acta crystallographica. Section E, Structure reports online 20120101
Total synthesis of the ammosamides.	Journal of the American Chemical Society 20100303
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.	Journal of medicinal chemistry 20070419