3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
Basic information
- CAS
21890-57-3- Standard SMILES
CC1=C(Cl)C(=O)c2c(O)cccc2C1=O- InChIKey
LHPOSZYLQOYNDN-UHFFFAOYSA-N- Molecular formula
- C11H7ClO3
- Average molar mass
- 222.62 g/mol
- Monoisotopic mass
- 222.0083718
Overview
3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione has been reported in Diospyros maritima, Dionaea muscipula, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
- IUPAC
- 3-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
Names & synonyms
21890-57-33-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione3-ChlorplumbaginNSC362426CHLOROPLUMBAGINSCHEMBL5174518CHEMBL5558737DTXSID60320630NSC-362426
Database identifiers
- CAS
21890-57-3- PubChem CID
- 338719
- DTXSID
DTXSID60320630- ChEMBL
CHEMBL5558737- Nikkaji
- J156.587G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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