3,9-Dichlorodibenzo[c,e]oxepine-5,7-dione
Basic information
- CAS
52767-29-0- Standard SMILES
O=c1oc(=O)c2cc(Cl)ccc2c2ccc(Cl)cc12- InChIKey
MMRSWCYQEXSCLB-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2O3
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 291.9693994
Names & identifiers
- Preferred name
- 3,9-Dichlorodibenzo[c,e]oxepine-5,7-dione
- IUPAC
- 3,9-dichlorobenzo[d][2]benzoxepine-5,7-dione
Names & synonyms
52767-29-03,9-dichlorodibenzo[c,e]oxepine-5,7-dioneNSC132254DTXSID10299706NSC-132254
Database identifiers
- CAS
52767-29-0- PubChem CID
- 280506
- DTXSID
DTXSID10299706
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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