5-Chloroquinolin-4-ol - CAS 23443-05-2
Catalog: |
BB070491 |
Product Name: |
5-Chloroquinolin-4-ol |
CAS: |
23443-05-2 |
Synonyms: |
5-Chloro-4-quinolinol |
IUPAC Name: | 5-chloro-1H-quinolin-4-one |
Description: | 5-Chloroquinolin-4-ol is a useful reagent in the synthesis of halogen- substituted quinoline compounds with antimalarial properties. |
Molecular Weight: | 179.60 |
Molecular Formula: | C9H6ClNO |
Canonical SMILES: | C1=CC2=C(C(=O)C=CN2)C(=C1)Cl |
InChI: | InChI=1S/C9H6ClNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-5H,(H,11,12) |
InChI Key: | ZCEBTEWGAPZZPJ-UHFFFAOYSA-N |
References: | Andersag, H. Chemische Berichte, 81, 499 (1948); Price, C. C., et al. J. Am. Chem. Soc., 68, 1256 (1946). |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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