7-Bromoindolin-2-one - CAS 320734-35-8

Catalog:	BB021156
Product Name:	7-Bromoindolin-2-one
CAS:	320734-35-8
Synonyms:	7-bromo-1,3-dihydroindol-2-one; 7-bromo-1,3-dihydroindol-2-one

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-1,3-dihydroindol-2-one
Description:	7-Bromoindolin-2-one (CAS# 320734-35-8) is a useful research chemical.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	C1C2=C(C(=CC=C2)Br)NC1=O
InChI:	InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
InChI Key:	WSUWXWBRIBGIQT-UHFFFAOYSA-N
Boiling Point:	358.8 °C at 760 mmHg
Density:	1.666 g/cm³
LogP:	2.08170

Publication Number	Title	Priority Date
WO-2021023813-A1	5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists	20190806
AU-2017289317-A1	Cyanoindoline derivatives as NIK inhibitors	20160630
CA-3027418-A1	Cyanoindoline derivatives as nik inhibitors	20160630
EP-3478673-A1	Cyanoindoline derivatives as nik inhibitors	20160630
JP-2019524646-A	Cyanoindoline derivatives as NIK inhibitors	20160630

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Related Functional Groups

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[14204-27-4]
N-(Phenylthio)phthalimide
[1176740-73-0]
5-(2,6-Dimethylphenyl)indoline
[143262-20-8]
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[179536-52-8]
4-Iodo-2-indolinone

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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:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5