4-Chloroisatin - CAS 6344-05-4

Catalog:	BB032148
Product Name:	4-Chloroisatin
CAS:	6344-05-4
Synonyms:	4-chloro-1H-indole-2,3-dione; 4-chloro-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-1H-indole-2,3-dione
Description:	4-Chloroisatin (CAS# 6344-05-4) is an isatic acid derivative that performs a plant growth-regulating activity. Isatin compounds also performs selective inhibitory functions against carboxylesterases.
Molecular Weight:	181.58
Molecular Formula:	C8H4ClNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2
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
Density:	1.519 g/cm³
MDL:	MFCD00129178
LogP:	1.61280

Publication Number	Title	Priority Date
CN-111777619-A	2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof	20200814
CN-111574426-A	Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer	20200527
US-2020299285-A1	Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors	20190321
CN-110563631-A	compound for inhibiting IDO and application thereof	20180605
CA-3079042-A1	D-amino acid oxidase inhibitors and therapeutic uses thereof	20171018

PMID	Publication Date	Title	Journal
22259500	20120101	4-Chloro-1-methyl-indoline-2,3-dione	Acta crystallographica. Section E, Structure reports online
22259540	20120101	1-Benzyl-4-chloro-indoline-2,3-dione	Acta crystallographica. Section E, Structure reports online
20131899	20100303	Total synthesis of the ammosamides	Journal of the American Chemical Society
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.9930561
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.9930561
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3