6-Bromo-3,4-dihydroquinoxalin-2(1H)-one - CAS 854584-01-3

Catalog:	BB037618
Product Name:	6-Bromo-3,4-dihydroquinoxalin-2(1H)-one
CAS:	854584-01-3
Synonyms:	6-bromo-3,4-dihydro-1H-quinoxalin-2-one; 6-bromo-3,4-dihydro-1H-quinoxalin-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-3,4-dihydro-1H-quinoxalin-2-one
Description:	6-Bromo-3,4-dihydroquinoxalin-2(1H)-one (CAS# 854584-01-3) is a useful research chemical.
Molecular Weight:	227.06
Molecular Formula:	C8H7BrN2O
Canonical SMILES:	C1C(=O)NC2=C(N1)C=C(C=C2)Br
InChI:	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
InChI Key:	AFHCUZXZHPMRQJ-UHFFFAOYSA-N
Appearance:	Grey to yellow powder
LogP:	2.03620

Publication Number	Title	Priority Date
EP-3642193-A1	Heteroaryl compounds as inhibitors of necrosis, composition and method using the same	20170623
KR-20200017411-A	Heteroaryl Compounds, Compositions thereof, and Methods of Use thereof as Necrosis Inhibitors	20170623
WO-2018237370-A1	HETEROARYL COMPOUNDS AS INHIBITORS OF THE NECROSIS, COMPOSITION AND METHOD OF USE THEREOF	20170623
JP-2020525417-A	Heteroaryl compounds that are necrosis inhibitors, compositions and methods using same	20170623
JP-6950006-B2	Heteroaryl compounds that are necrosis inhibitors, compositions and methods using them	20170623

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Related Functional Groups

Quinoxalines

[2379-56-8]
6-Nitro-2,3-dihydroxyquinoxaline
[7065-23-8]
Ethyl 2-quinoxalinecarboxylate
[1416352-00-5]
1-(3-Chlorobenzyl)-1,2,3,4-tetrahydroquinoxaline Dihydrochloride
[3476-89-9]
1,2,3,4-Tetrahydroquinoxaline
[7483-33-2]
2-Quinoxalinecarbonitrile
[879-65-2]
2-Quinoxalinecarboxylic acid

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.97418
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	225.97418
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6