Basic information
- CAS
67280-34-6- Standard SMILES
Clc1ccc2c(c1)CN1Cc3cc(Cl)ccc3C2C1- InChIKey
BVZQFBBESLFVJS-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 289.0425048
Names & identifiers
- Preferred name
- 3,9-Dichloro-7,12-dihydro-5H-6,12-methanodibenzo[c,f]azocine
- IUPAC
- 5,13-dichloro-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaene
Names & synonyms
67280-34-6NSC315276DTXSID103174193,9-Dichloro-7,12-dihydro-5H-6,12-methanodibenzo[c,f]azocineNSC-315276
Database identifiers
- CAS
67280-34-6- PubChem CID
- 330004
- DTXSID
DTXSID10317419
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…