Basic information
- Standard SMILES
ClCCC=C1c2ccccc2COc2ccccc21- InChIKey
BVTNIXZICFSSML-UHFFFAOYSA-N- Molecular formula
- C17H15ClO
- Average molar mass
- 270.8 g/mol
- Monoisotopic mass
- 270.0811428
Names & identifiers
- Preferred name
- 11-(3-Chloropropylidene)-6,11-dihydrodibenzo[b,e]-oxepine
- IUPAC
- 11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine
Names & synonyms
SCHEMBL1539316BVTNIXZICFSSML-UHFFFAOYSA-N11-(3-chloropropylidene)-6,11-dihydrodibenzo[b,e]-oxepine11-(3-chloropropylidene)6,11-dihydrodibenzo-[b,e]-oxepine11-(3-chloropropylidene)-6,11-dihydrodibenzo- [b,e]-oxepine11-(3-chloropropylidene)-6,11-dihydrodibenzo-[b,e]-oxepine
Database identifiers
- PubChem CID
- 67069125
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
3 records
Linked notes
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