6-Phenylisatin - CAS 109497-00-9

Catalog:	BB002497
Product Name:	6-Phenylisatin
CAS:	109497-00-9
Synonyms:	6-phenyl-1H-indole-2,3-dione; 6-phenyl-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	6-phenyl-1H-indole-2,3-dione
Description:	6-Phenylisatin (CAS# 109497-00-9 ) is a useful research chemical.
Molecular Weight:	223.23
Molecular Formula:	C14H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(=O)N3
InChI:	InChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)15-14(13)17)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChI Key:	WBDQMTSHOJHWHX-UHFFFAOYSA-N
LogP:	2.62640

Publication Number	Title	Priority Date
JP-WO2017170095-A1	Novel dihydroxy compounds	20160328
WO-2017170095-A1	Novel dihydroxy compound	20160328
US-9828342-B2	Isatin derivatives, pharmaceutical compositions thereof, and methods of use thereof	20120224
JP-2003064039-A	Method for producing o-cyanoaniline derivative	20010828
AU-707760-B2	3-substituted oxindole derivatives as potassium channel modulators	19950607

PMID	Publication Date	Title	Journal
21134756	20110101	Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues	Bioorganic & medicinal chemistry

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Complexity:	333
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.06332853
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5