7-Nitroindolin-2-one - CAS 25369-31-7

Catalog:	BB018883
Product Name:	7-Nitroindolin-2-one
CAS:	25369-31-7
Synonyms:	7-nitro-1,3-dihydroindol-2-one; 7-nitro-1,3-dihydroindol-2-one

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Computed Properties

IUPAC Name:	7-nitro-1,3-dihydroindol-2-one
Description:	7-Nitroindolin-2-one (CAS# 25369-31-7) is a useful research chemical.
Molecular Weight:	178.14
Molecular Formula:	C8H6N2O3
Canonical SMILES:	C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O
InChI:	InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)
InChI Key:	VGANBSWHOYEFKJ-UHFFFAOYSA-N
Boiling Point:	392.5 °C at 760 mmHg
Density:	1.449 g/cm³
Appearance:	Dark orange powder
MDL:	MFCD04088356
LogP:	1.75060

Publication Number	Title	Priority Date
AU-2013249714-A1	Indolin-2-one derivatives as protein kinase inhibitors	20120420
AU-2013249714-B2	Indolin-2-one derivatives as protein kinase inhibitors	20120420
EP-2838531-B1	Indolin-2-one derivatives as protein kinase inhibitors	20120420
ES-2600467-T3	Indolin-2-one derivatives as protein kinase inhibitors	20120420
JP-2015514762-A	Indoline-2-one derivatives as protein kinase inhibitors	20120420

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6