8-Acetyl-5-chloroquinoline - CAS 1438559-55-7
Catalog: |
BB009679 |
Product Name: |
8-Acetyl-5-chloroquinoline |
CAS: |
1438559-55-7 |
Synonyms: |
1-(5-chloro-8-quinolinyl)ethanone; 1-(5-chloroquinolin-8-yl)ethanone |
IUPAC Name: | 1-(5-chloroquinolin-8-yl)ethanone |
Description: | 8-Acetyl-5-chloroquinoline (CAS# 1438559-55-7) is a useful research chemical compound. |
Molecular Weight: | 205.64 |
Molecular Formula: | C11H8ClNO |
Canonical SMILES: | CC(=O)C1=C2C(=C(C=C1)Cl)C=CC=N2 |
InChI: | InChI=1S/C11H8ClNO/c1-7(14)8-4-5-10(12)9-3-2-6-13-11(8)9/h2-6H,1H3 |
InChI Key: | JMKBPBNGEGDMLD-UHFFFAOYSA-N |
LogP: | 3.09080 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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