6-Chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxaldehyde - CAS 332382-81-7
Catalog: |
BB021626 |
Product Name: |
6-Chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxaldehyde |
CAS: |
332382-81-7 |
Synonyms: |
6-chloro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde |
IUPAC Name: | 6-chloro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde |
Description: | 6-Chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxaldehyde (CAS# 332382-81-7) is a useful research chemical. |
Molecular Weight: | 235.62 |
Molecular Formula: | C11H6ClNO3 |
Canonical SMILES: | C1OC2=CC3=CC(=C(N=C3C=C2O1)Cl)C=O |
InChI: | InChI=1S/C11H6ClNO3/c12-11-7(4-14)1-6-2-9-10(16-5-15-9)3-8(6)13-11/h1-4H,5H2 |
InChI Key: | BFMGNLHCLPBIHN-UHFFFAOYSA-N |
Boiling Point: | 409.3 ℃ at 760 mmHg |
Melting Point: | 230-234 ℃ |
Purity: | 95 % |
Density: | 1.554 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD02049248 |
LogP: | 2.42940 |
Publication Number | Title | Priority Date |
US-2020354374-A1 | Chemical Entities, Pharmaceutical Formulations, and Methods for Treating Fibrosis | 20190506 |
AU-2012219316-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) | 20110218 |
CA-2827724-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
EP-2675791-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
EP-2675791-B1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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