1-(4-Fluoro-2-nitrophenyl)piperazine - CAS 243128-46-3
Catalog: |
BB018408 |
Product Name: |
1-(4-Fluoro-2-nitrophenyl)piperazine |
CAS: |
243128-46-3 |
Synonyms: |
1-(4-fluoro-2-nitrophenyl)piperazine; 1-(4-fluoro-2-nitrophenyl)piperazine |
IUPAC Name: | 1-(4-fluoro-2-nitrophenyl)piperazine |
Description: | 1-(4-Fluoro-2-nitrophenyl)piperazine (CAS# 243128-46-3) is a useful research chemical. |
Molecular Weight: | 225.22 |
Molecular Formula: | C10H12FN3O2 |
Canonical SMILES: | C1CN(CCN1)C2=C(C=C(C=C2)F)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12FN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2 |
InChI Key: | ZPYLKZRKXDCEQI-UHFFFAOYSA-N |
Boiling Point: | 386.2 °C at 760 mmHg |
Density: | 1.295 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00798371 |
LogP: | 2.06050 |
Publication Number | Title | Priority Date |
CA-2895129-A1 | Quinazoline neurotensin receptor 1 agonists and uses thereof | 20121220 |
EP-2938608-A1 | Small molecule agonists of neurotensin receptor 1 | 20121220 |
JP-2016507501-A | Neurotensin receptor 1 small molecule agonist | 20121220 |
JP-6391120-B2 | Neurotensin receptor 1 small molecule agonist | 20121220 |
US-2015329497-A1 | Small molecule agonists of neurotensin receptor 1 | 20121220 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0913548 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0913548 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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