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6-Bromoquinoxalin-2(1H)-one

6-Bromoquinoxalin-2(1H)-one - CAS 55687-34-8

Catalog:	BB029133
Product Name:	6-Bromoquinoxalin-2(1H)-one
CAS:	55687-34-8
Synonyms:	6-bromo-1H-quinoxalin-2-one; 6-bromo-1H-quinoxalin-2-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-bromo-1H-quinoxalin-2-one
Description:	6-Bromoquinoxalin-2(1H)-one (CAS# 55687-34-8) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C8H5BrN2O
Canonical SMILES:	C1=CC2=C(C=C1Br)N=CC(=O)N2
InChI:	InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)
InChI Key:	BDBWPIXISLYKEG-UHFFFAOYSA-N
Density:	1.822 g/cm³
MDL:	MFCD10566852
LogP:	1.68560

Publication Number	Title	Priority Date
EP-3753932-A1	Substituted bicyclic derivatives having multimodal activity against pain	20190617
WO-2019243525-A1	Oga inhibitor compounds	20180620
AU-2019289966-A1	OGA inhibitor compounds	20180620
CN-112313218-A	OGA inhibitor compounds	20180620
EP-3810592-A1	Oga inhibitor compounds	20180620

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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:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.95853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5