Basic information
- CAS
17620-28-9- Standard SMILES
COc1ccc2c(c1)C=Cc1ccc(Cl)cc1N2- InChIKey
KIWJDFJUIBHKNR-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Names & identifiers
- Preferred name
- 7-Chloro-2-methoxy-5h-dibenzo[b,f]azepine
- IUPAC
- 9-chloro-3-methoxy-11H-benzo[b][1]benzazepine
Names & synonyms
17620-28-97-chloro-2-methoxy-5h-dibenzo[b,f]azepineNSC152031DTXSID60302597NSC-152031
Database identifiers
- CAS
17620-28-9- PubChem CID
- 289779
- DTXSID
DTXSID60302597
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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