6-Bromo-8-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 121564-96-3

Catalog:	BB005208
Product Name:	6-Bromo-8-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	121564-96-3
Synonyms:	6-bromo-8-chloro-4H-1,4-benzoxazin-3-one; 6-bromo-8-chloro-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-8-chloro-4H-1,4-benzoxazin-3-one
Description:	6-Bromo-8-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 121564-96-3) is a useful research chemical.
Molecular Weight:	262.49
Molecular Formula:	C8H5BrClNO2
Canonical SMILES:	C1C(=O)NC2=CC(=CC(=C2O1)Cl)Br
InChI:	InChI=1S/C8H5BrClNO2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3H2,(H,11,12)
InChI Key:	HARMFWNFNHJNIM-UHFFFAOYSA-N
Storage:	2-8 °C
LogP:	2.51850

Publication Number	Title	Priority Date
US-2019248774-A1	Heterocyclic compounds as kinase inhibitors	20180215
WO-2019161224-A1	Heterocyclic compounds as kinase inhibitors	20180215
EP-3752491-A1	Heterocyclic compounds as kinase inhibitors	20180215
IL-276509-D0	Heterocyclic compounds as kinase inhibitors	20180215
CA-2635541-A1	Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands	20051228

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Related Functional Groups

Benzoxazines

[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[107624-49-7]
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
[688363-48-6]
8-Bromo-2H-1,4-benzoxazin-3(4H)-one
[1245808-46-1]
7-Bromobenzo[d][1,3]oxazin-2(4H)-one
[5735-53-5]
3,4-Dihydro-2H-1,4-benzoxazine
[1780525-17-8]
5-Fluoro-1H-benzo[d][1,3]oxazin-2(4H)-one

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.91922
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.91922
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2