6-Nitroindolin-2-one - CAS 474799-41-2

Catalog:	BB026313
Product Name:	6-Nitroindolin-2-one
CAS:	474799-41-2
Synonyms:	6-nitro-1,3-dihydroindol-2-one; 6-nitro-1,3-dihydroindol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-nitro-1,3-dihydroindol-2-one
Description:	6-Nitroindolin-2-one (CAS# 474799-41-2) is a useful research chemical.
Molecular Weight:	178.14
Molecular Formula:	C8H6N2O3
Canonical SMILES:	C1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O
InChI:	InChI=1S/C8H6N2O3/c11-8-3-5-1-2-6(10(12)13)4-7(5)9-8/h1-2,4H,3H2,(H,9,11)
InChI Key:	WYCVARGVMCGNMC-UHFFFAOYSA-N
Boiling Point:	390.6 °C at 760 mmHg
Density:	1.449 g/cm³
MDL:	MFCD09835636
LogP:	1.69770

Publication Number	Title	Priority Date
US-2016060260-A1	Bromodomain inhibitors for treating disease	20140829
CA-2690567-A1	3-hetrocyclylidene-indolinone derivatives as inhibitors of specific cell cycle kinases	20070612
CA-2690569-A1	Indolinone derivatives and their use in treating disease-states such as cancer	20070612
EP-2167465-A1	Indolinone derivatives and their use in treating disease-states such as cancer	20070612
EP-2181108-A2	3-hetrocyclylidene-indolinone derivatives as inhibitors of specific cell cycle kinases	20070612

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BLUE 203
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Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.03784206
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.03784206
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1