1-Chloro-5-nitroisoquinoline - CAS 58142-97-5
Catalog: |
BB029951 |
Product Name: |
1-Chloro-5-nitroisoquinoline |
CAS: |
58142-97-5 |
Synonyms: |
1-chloro-5-nitroisoquinoline; 1-chloro-5-nitroisoquinoline |
IUPAC Name: | 1-chloro-5-nitroisoquinoline |
Description: | 1-Chloro-5-nitroisoquinoline (CAS# 58142-97-5) is a useful research chemical. |
Molecular Weight: | 208.60 |
Molecular Formula: | C9H5ClN2O2 |
Canonical SMILES: | C1=CC2=C(C=CN=C2Cl)C(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H |
InChI Key: | ABMIIJPKPFSMLK-UHFFFAOYSA-N |
Boiling Point: | 376.8 °C at 760 mmHg |
Density: | 1.484 g/cm3 |
MDL: | MFCD11052590 |
LogP: | 3.31960 |
Publication Number | Title | Priority Date |
US-2021323942-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2020140098-A1 | Inhibitors of cyclin-dependent kinase 7 and uses thereof | 20181228 |
WO-2020131629-A1 | Bicyclic derivatives | 20181218 |
CN-113474044-A | Bicyclic derivatives | 20181218 |
KR-20210106502-A | Bicyclic derivatives | 20181218 |
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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