Basic information
- CAS
52431-61-5- Standard SMILES
Cc1cc(O)c2c(c1Cl)C(=O)C=CC2=O- InChIKey
TZGHDXVKTCRJMA-UHFFFAOYSA-N- Molecular formula
- C11H7ClO3
- Average molar mass
- 222.62 g/mol
- Monoisotopic mass
- 222.0083718
Names & identifiers
- Preferred name
- 5-Chloro-8-hydroxy-6-methylnaphthalene-1,4-dione
- IUPAC
- 5-chloro-8-hydroxy-6-methylnaphthalene-1,4-dione
Names & synonyms
5-chloro-8-hydroxy-6-methylnaphthalene-1,4-dione52431-61-55-chloro-8-hydroxy-6-methyl-1,4-dihydronaphthalene-1,4-dione8-chloro-5-hydroxy-7-methyl-1,4-naphthoquinone5-chloro-8-hydroxy-6-methyl-naphthalene-1,4-dioneMFCD25964168NSC2366125-chloro-8-hydroxy-6-methyl-1,4-naphthoquinoneCHEMBL238592DTXSID30311050AKOS022654620NSC-236612
Show more names
NS-02727
Database identifiers
- CAS
52431-61-5- PubChem CID
- 314980
- DTXSID
DTXSID30311050- ChEMBL
CHEMBL238592- Nikkaji
- J1.555.899G
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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