Basic information
- Standard SMILES
Clc1ccc(C2=CC3CCC(C2)N3)cc1Cl- InChIKey
WNTMTTVEDFGEMS-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2N
- Average molar mass
- 254.15 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-2-nortropene
- IUPAC
- 3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
Names & synonyms
CHEMBL5781303-(3,4-dichlorophenyl)-2-nortropeneSCHEMBL5194296SCHEMBL5194310WNTMTTVEDFGEMS-UHFFFAOYSA-NBDBM50303309PD180848SY5662503-(3,4-Dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-ene189746-56-3
Database identifiers
- PubChem CID
- 10220657
- ChEMBL
CHEMBL578130
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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