6-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 94107-60-5

Catalog:	BB041193
Product Name:	6-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one
CAS:	94107-60-5
Synonyms:	6-nitro-1,4-dihydro-3,1-benzoxazin-2-one; 6-nitro-1,4-dihydro-3,1-benzoxazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
Description:	6-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 94107-60-5 ) is a useful research chemical.
Molecular Weight:	194.14
Molecular Formula:	C8H6N2O4
Canonical SMILES:	C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)O1
InChI:	InChI=1S/C8H6N2O4/c11-8-9-7-2-1-6(10(12)13)3-5(7)4-14-8/h1-3H,4H2,(H,9,11)
InChI Key:	NLLUNRCIKRPYMQ-UHFFFAOYSA-N
Boiling Point:	297.1 °C at 760 mmHg
Density:	1.474 g/cm³
LogP:	2.31810

Publication Number	Title	Priority Date
CA-2642406-A1	Benzoxazinone and benzoxazepinone oxazolidinones as antibacterial agents	20060214
EP-1987025-A1	Benzoxazinone and benzoxazepinone oxazolidinones as antibacterial agents	20060214
EP-1987025-B1	Benzoxazinone and benzoxazepinone oxazolidinones as antibacterial agents	20060214
ES-2331930-T3	OXAZOLIDINONES WITH BENZOXAZINONES AND BENZOXAZEPINONES AS ANTIBACTERIAL AGENTS.	20060214
JP-2009526832-A	Benzoxazinone and benzoxazepinone oxazolidinone as antibacterial agents	20060214

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.03275668
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.03275668
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9