Basic information
- CAS
27158-81-2- Standard SMILES
Clc1cc2c3c(ccn3CCNC2)c1- InChIKey
PMNDTEUASUKNJR-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2
- Average molar mass
- 206.67 g/mol
- Monoisotopic mass
- 206.0610761
Names & identifiers
- Preferred name
- Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4-tetrahydro-9-chloro-
- IUPAC
- 6-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
Names & synonyms
27158-81-2Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4-tetrahydro-9-chloro-BRN 09585489-chloro-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole1,2,3,4-Tetrahydro-9-chloropyrrolo(3,2,1-jk)(1,4)benzodiazepineDTXSID00181626
Database identifiers
- CAS
27158-81-2- PubChem CID
- 213864
- DTXSID
DTXSID00181626
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…