6-Chloroisatin - CAS 6341-92-0

Catalog:	BB032134
Product Name:	6-Chloroisatin
CAS:	6341-92-0
Synonyms:	6-chloro-1H-indole-2,3-dione; 6-chloro-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-1H-indole-2,3-dione
Description:	6-Chloroisatin can be used as potential apoptosis inducer in non-small lung cancer AS49 cells.
Molecular Weight:	181.58
Molecular Formula:	C8H4ClNO2
Canonical SMILES:	C1=CC2=C(C=C1Cl)NC(=O)C2=O
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
Density:	1.519 g/cm³
MDL:	MFCD00086347
LogP:	1.61280

Publication Number	Title	Priority Date
CN-111574426-A	Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer	20200527
CN-111187233-A	Polysubstituted benzothiazole and derivative and synthesis method thereof	20200118
CN-110846675-A	Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound	20191025
CN-110846675-B	Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound	20191025
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

PMID	Publication Date	Title	Journal
22199909	20111201	1-Benzyl-6-chloro-indoline-2,3-dione	Acta crystallographica. Section E, Structure reports online
19707325	20070601	Biological targets for isatin and its analogues: Implications for therapy	Biologics : targets & therapy
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry
12553895	20020901	Synthesis of isatin semicarbazones as novel anticonvulsants--role of hydrogen bonding	Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3