Basic information
- CAS
5223-34-7- Standard SMILES
Cc1c(C)c(O)c2c(c1O)C(=O)C=C(Cl)C2=O- InChIKey
HANFDOGUZLURKA-UHFFFAOYSA-N- Molecular formula
- C12H9ClO4
- Average molar mass
- 252.65 g/mol
- Monoisotopic mass
- 252.0189365
Names & identifiers
- Preferred name
- 2-Chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
- IUPAC
- 2-chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dione
Names & synonyms
5223-34-7NSC2874242-chloro-5,8-dihydroxy-6,7-dimethylnaphthalene-1,4-dioneDTXSID30314682NSC-2874241, 6-chloro-5,8-dihydroxy-2,3-dimethyl-
Database identifiers
- CAS
5223-34-7- PubChem CID
- 323947
- DTXSID
DTXSID30314682
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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