6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 1029421-36-0

Catalog:	BB000972
Product Name:	6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	1029421-36-0
Synonyms:	6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one; 6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one
Description:	6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 1029421-36-0 ) is a useful research chemical.
Molecular Weight:	246.03
Molecular Formula:	C8H5BrFNO2
Canonical SMILES:	C1C(=O)NC2=C(O1)C=CC(=C2F)Br
InChI:	InChI=1S/C8H5BrFNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12)
InChI Key:	JIHABKIDCVPCNQ-UHFFFAOYSA-N
LogP:	2.05710

Publication Number	Title	Priority Date
AU-2012356083-A1	Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives	20111222
AU-2012356083-B2	Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives	20111222
CA-2859764-A1	Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives	20111222
CA-2859764-C	Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives	20111222
EP-2794600-A1	Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives	20111222

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[1781048-50-7]
8-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[107624-49-7]
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
[148890-63-5]
5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one
[82419-29-2]
7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.94877
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.94877
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7