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 |
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 |
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 |
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