Basic information
- Standard SMILES
ClC1c2ccccc2COc2ccccc21- InChIKey
LZGZDRSZOKQIHN-UHFFFAOYSA-N- Molecular formula
- C14H11ClO
- Average molar mass
- 230.69 g/mol
- Monoisotopic mass
- 230.0498427
Names & identifiers
- Preferred name
- 11-Chloro-6,11-dihydrodibenz[b,e]oxepin
- IUPAC
- 11-chloro-6,11-dihydrobenzo[c][1]benzoxepine
Names & synonyms
SCHEMBL5400526LZGZDRSZOKQIHN-UHFFFAOYSA-N11-Chloro-6,11-dihydrodibenz[b,e]oxepin11-chloro-6,11-dihydrodibenzo[b,e]oxepine11-chloro-6,11-dihydrodibenzo[b,e] oxepine
Database identifiers
- PubChem CID
- 12962148
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
7 records
Compound notes
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