4,5-Dichloroisatin - CAS 1677-47-0

Catalog:	BB012415
Product Name:	4,5-Dichloroisatin
CAS:	1677-47-0
Synonyms:	4,5-dichloro-1H-indole-2,3-dione; 4,5-dichloro-1H-indole-2,3-dione

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Computed Properties

IUPAC Name:	4,5-dichloro-1H-indole-2,3-dione
Description:	4,5-Dichloroisatin (CAS# 1677-47-0) is a useful research chemical.
Molecular Weight:	216.02
Molecular Formula:	C8H3Cl2NO2
Canonical SMILES:	C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Cl
InChI:	InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChI Key:	WWSWHYAXEFLETD-UHFFFAOYSA-N
Density:	1.643 g/cm³
Appearance:	Orange powder
MDL:	MFCD00185014
LogP:	2.26620

Publication Number	Title	Priority Date
CN-105330666-A	Novel tryptanthrin derivative, synthetic method and medicinal application thereof	20151127
CA-2979926-A1	Substituted n-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof	20150318
JP-2018512404-A	Substituted N-bicyclo-2-aryl-quinoline-4-carboxamide and uses thereof	20150318
US-10117864-B2	Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof	20150318
US-2018036300-A1	Substituted n-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof	20150318

PMID	Publication Date	Title	Journal
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

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Related Functional Groups

Indoles

[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[771-50-6]
Indole-3-carboxylic acid
[15861-24-2]
Indole-5-carbonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9540837
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.9540837
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2