7-Chloro-8-hydroxyquinoline-5,6-dione
Basic information
- CAS
61431-02-5- Standard SMILES
O=C1C(=O)c2cccnc2C(O)=C1Cl- InChIKey
LWLNDGOPEZBSJW-UHFFFAOYSA-N- Molecular formula
- C9H4ClNO3
- Average molar mass
- 209.58 g/mol
- Monoisotopic mass
- 208.9879707
Names & identifiers
- Preferred name
- 7-Chloro-8-hydroxyquinoline-5,6-dione
- IUPAC
- 7-chloro-8-hydroxyquinoline-5,6-dione
Names & synonyms
61431-02-57-chloro-8-hydroxyquinoline-5,6-dioneNSC82130CHEMBL4572272DTXSID90276419NSC-82130
Database identifiers
- CAS
61431-02-5- PubChem CID
- 149141
- DTXSID
DTXSID90276419- ChEMBL
CHEMBL4572272
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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