5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 861106-93-6

Catalog:	BB037829
Product Name:	5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one
CAS:	861106-93-6
Synonyms:	5-bromo-1,4-dihydro-3,1-benzoxazin-2-one; 5-bromo-1,4-dihydro-3,1-benzoxazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-1,4-dihydro-3,1-benzoxazin-2-one
Description:	5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 861106-93-6 ) is a useful research chemical.
Molecular Weight:	228.04
Molecular Formula:	C8H6BrNO2
Canonical SMILES:	C1C2=C(C=CC=C2Br)NC(=O)O1
InChI:	InChI=1S/C8H6BrNO2/c9-6-2-1-3-7-5(6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:	XZVJGIWTWBRGBL-UHFFFAOYSA-N
LogP:	2.64920

Publication Number	Title	Priority Date
AU-2015328285-B2	Heteroaryl compounds as BTK inhibitors and uses thereof	20141006
CA-2960401-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006
EP-3204382-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006
JP-2017533897-A	Heteroaryl compounds and their use as BTK inhibitors	20141006
US-10253023-B2	Heteroaryl compounds as BTK inhibitors and uses thereof	20141006

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Related Functional Groups

Benzoxazines

[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[154598-52-4]
(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
[148890-63-5]
5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one
[1245808-46-1]
7-Bromobenzo[d][1,3]oxazin-2(4H)-one
[441066-03-1]
1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]-5-carboxylic acid

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.95819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8