7,8-Difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 560082-52-2

Name: 7,8-Difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one
Brand: BOC Sciences
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Catalog:	BB029236
Product Name:	7,8-Difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	560082-52-2
Synonyms:	7,8-difluoro-4H-1,4-benzoxazin-3-one; 7,8-difluoro-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	7,8-difluoro-4H-1,4-benzoxazin-3-one
Description:	7,8-Difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 560082-52-2) is a useful research chemical.
Molecular Weight:	185.13
Molecular Formula:	C8H5F2NO2
Canonical SMILES:	C1C(=O)NC2=C(O1)C(=C(C=C2)F)F
InChI:	InChI=1S/C8H5F2NO2/c9-4-1-2-5-8(7(4)10)13-3-6(12)11-5/h1-2H,3H2,(H,11,12)
InChI Key:	JCNKLQRINZTFII-UHFFFAOYSA-N
LogP:	1.43370

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Related Functional Groups

Benzoxazines

[3026594-91-9]C9H10BrFN2O
(S)-8-Bromo-6-fluoro-3-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-5-amine
[1780189-83-4]C9H9NO3
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[939759-05-4]C8H8ClNO
8-Chloro-3,4-dihydro-2H-1,4-benzoxazine
[500872-58-2]C9H5NO5
2,4-Dioxo-1,4-dihydro-2H-benzo[d][1,3]oxazine-5-carboxylic acid
[1780907-91-6]C8H6ClNO2
5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one
[148890-63-5]C8H8N2O2
5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one

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Publication Number	Title	Priority Date
WO-2010046388-A1	Substituted (aza) -1-methyl-1h-quinolin-2-ones as antibacterials	20081023
US-2008221093-A1	Metalloprotease inhibitors containing a heterocyclic moiety	20070307
US-2008221095-A1	Metalloprotease inhibitors containing a heterocyclic moiety	20070307
WO-2008109180-A2	Metalloprotease inhibitors containing a heterocyclic moiety	20070307
WO-2008109181-A2	Metalloprotease inhibitors containing a heterocyclic moiety	20070307

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.02883473
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.02883473
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1