Basic information
- CAS
102072-79-7- Standard SMILES
O=C1C(=O)c2cnccc2C(O)=C1Cl- InChIKey
SERGBLQEPAHAPR-UHFFFAOYSA-N- Molecular formula
- C9H4ClNO3
- Average molar mass
- 209.58 g/mol
- Monoisotopic mass
- 208.9879707
Names & identifiers
- Preferred name
- 6-Chloro-7-hydroxy-5,8-isoquinolinedione
- IUPAC
- 6-chloro-5-hydroxyisoquinoline-7,8-dione
Names & synonyms
102072-79-76-Chloro-7-hydroxy-5,8-isoquinolinedione6-chloro-5-hydroxyisoquinoline-7,8-dione5,8-Isoquinolinedione, 6-chloro-7-hydroxy-DTXSID30907073
Database identifiers
- CAS
102072-79-7- PubChem CID
- 149157
- DTXSID
DTXSID30907073
Properties
Computed structural properties
- XLogP
- 0.6
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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