3-Chloro-5-nitroisoquinoline - CAS 10296-47-6
Catalog: |
BB000974 |
Product Name: |
3-Chloro-5-nitroisoquinoline |
CAS: |
10296-47-6 |
Synonyms: |
3-chloro-5-nitroisoquinoline; 3-chloro-5-nitroisoquinoline |
IUPAC Name: | 3-chloro-5-nitroisoquinoline |
Description: | 3-Chloro-5-nitroisoquinoline (CAS# 10296-47-6) is a useful research chemical compound. |
Molecular Weight: | 208.60 |
Molecular Formula: | C9H5ClN2O2 |
Canonical SMILES: | C1=CC2=CN=C(C=C2C(=C1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C9H5ClN2O2/c10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14/h1-5H |
InChI Key: | NPORMNSYOVFNQW-UHFFFAOYSA-N |
Boiling Point: | 376.78 °C at 760 mmHg |
Density: | 1.484 g/cm3 |
LogP: | 3.31960 |
Publication Number | Title | Priority Date |
WO-2021011913-A1 | Tau-protein targeting compounds and associated methods of use | 20190717 |
AU-2016340798-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
CA-3002801-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
EP-3365061-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
JP-2018531262-A | Aminoisoxazoline compounds as agonists of α7-nicotinic acetylcholine receptors | 20151020 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Quinoline/Isoquinoline
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