5-Chloro-4-hydroxy-3-quinolinecarboxylic Acid - CAS 860205-48-7
Catalog: |
BB062486 |
Product Name: |
5-Chloro-4-hydroxy-3-quinolinecarboxylic Acid |
CAS: |
860205-48-7 |
Synonyms: |
5-Chloro-4-hydroxyquinoline-3-carboxylic Acid |
IUPAC Name: | 5-chloro-4-oxo-1H-quinoline-3-carboxylic acid |
Molecular Weight: | 223.61 |
Molecular Formula: | C10H6ClNO3 |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=O)C(=CN2)C(=O)O |
InChI: | InChI=1S/C10H6ClNO3/c11-6-2-1-3-7-8(6)9(13)5(4-12-7)10(14)15/h1-4H,(H,12,13)(H,14,15) |
InChI Key: | AZZUWFJILOYUGK-UHFFFAOYSA-N |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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