5-Chloro-8-hydroxy-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Basic information
- CAS
65698-27-3- Standard SMILES
O=C1c2c(O)ccc(Cl)c2C(=O)C2CC=CCC12- InChIKey
KKGMIBJNWHZUAB-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- 5-Chloro-8-hydroxy-1,4,4a,9a-tetrahydroanthracene-9,10-dione
- IUPAC
- 5-chloro-8-hydroxy-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Names & synonyms
65698-27-35-chloro-8-hydroxy-1,4,4a,9a-tetrahydroanthracene-9,10-dioneNSC269973DTXSID70313396NSC-269973
Database identifiers
- CAS
65698-27-3- PubChem CID
- 320849
- DTXSID
DTXSID70313396
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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