1-(3-Nitrophenyl)piperazin-2-one - CAS 215649-84-6
Catalog: |
BB016964 |
Product Name: |
1-(3-Nitrophenyl)piperazin-2-one |
CAS: |
215649-84-6 |
Synonyms: |
1-(3-nitrophenyl)-2-piperazinone; 1-(3-nitrophenyl)piperazin-2-one |
IUPAC Name: | 1-(3-nitrophenyl)piperazin-2-one |
Description: | 1-(3-Nitrophenyl)piperazin-2-one (CAS# 215649-84-6) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C10H11N3O3 |
Canonical SMILES: | C1CN(C(=O)CN1)C2=CC(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11N3O3/c14-10-7-11-4-5-12(10)8-2-1-3-9(6-8)13(15)16/h1-3,6,11H,4-5,7H2 |
InChI Key: | VFWUZSXMPSDONN-UHFFFAOYSA-N |
Boiling Point: | 489.081 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
LogP: | 1.44800 |
Publication Number | Title | Priority Date |
AU-2010254806-A1 | Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives | 20090605 |
AU-2010254806-B2 | Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives | 20090605 |
CA-2763900-A1 | Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives | 20090605 |
EP-2438066-A2 | PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES | 20090605 |
JP-2012528886-A | Preparation and use of 1,2,4-triazolo [1,5a] pyridine derivatives | 20090605 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08004122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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