6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 870064-73-6

Catalog:	BB038171
Product Name:	6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	870064-73-6
Synonyms:	6-chloro-8-nitro-4H-1,4-benzoxazin-3-one; 6-chloro-8-nitro-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-8-nitro-4H-1,4-benzoxazin-3-one
Description:	6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 870064-73-6) is a useful research chemical.
Molecular Weight:	228.59
Molecular Formula:	C8H5ClN2O4
Canonical SMILES:	C1C(=O)NC2=CC(=CC(=C2O1)[N+](=O)[O-])Cl
InChI:	InChI=1S/C8H5ClN2O4/c9-4-1-5-8(6(2-4)11(13)14)15-3-7(12)10-5/h1-2H,3H2,(H,10,12)
InChI Key:	PHVYJBIAHFOQLG-UHFFFAOYSA-N
MDL:	MFCD11226538
LogP:	2.24030

Publication Number	Title	Priority Date
US-2013137679-A1	Novel Functionally Selective Ligands of Dopamine D2 Receptors	20100702
US-9156822-B2	Functionally selective ligands of dopamine D2 receptors	20100702
WO-2012003418-A2	Functionally selective ligands of dopamine d2 receptors	20100702
CA-2794773-A1	Trpv1 vanilloid receptor antagonists with a bicyclic portion	20100330
EP-2377850-A1	TRPV1 vanilloid receptor antagonists with a bicyclic portion	20100330

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Related Functional Groups

Benzoxazines

[3026594-91-9]
(S)-8-Bromo-6-fluoro-3-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-5-amine
[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
[1781048-50-7]
8-Methoxy-1H-benzo[d][1,3]oxazin-2(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

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.9937843
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.9937843
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3