Basic information
- CAS
3083-83-8- Standard SMILES
CC1=NCCc2c[nH]c3c(Cl)ccc1c23- InChIKey
DZWZBFHLTLMXOC-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0610761
Names & identifiers
- Preferred name
- 3,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole
- IUPAC
- 5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene
- English name
- 9-Chloro-3,4-dihydro-6-methyl-1H-azepino[5,4,3-cd]indole
- Molecular formula
- C12H11ClN2
- Molecular weight
- 218.68
Names & synonyms
3083-83-8BRN 07473313,4-Dihydro-9-chloro-6-methyl-1H-azepino(5,4,3-cd)indole9-Chloro-3,4-dihydro-6-methyl-1H-azepino(5,4,3-cd)indole1H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-9-CHLORO-6-METHYL-DTXSID209530299-Chloro-6-methyl-4,5-dihydro-3H-azepino[5,4,3-cd]indole9-Chloro-3,4-dihydro-6-methyl-1H-azepino[5,4,3-cd]indole1H-Pyrrolo[4,3,2-ef][2]benzazepine, 9-chloro-3,4-dihydro-6-methyl-
Database identifiers
- CAS
3083-83-8- PubChem CID
- 18324
- DTXSID
DTXSID20953029- Nikkaji
- J54.663A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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