Basic information
- CAS
71017-42-0- Standard SMILES
O=S(=O)(c1ccccc1)N1CCC2C=CC1C2- InChIKey
GAZYFASQDOPYFU-UHFFFAOYSA-N- Molecular formula
- C13H15NO2S
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.08234989
Names & identifiers
- Preferred name
- 2-Azabicyclo(3.2.1)oct-6-ene, 2-(phenylsulfonyl)-
- IUPAC
- 2-(benzenesulfonyl)-2-azabicyclo[3.2.1]oct-6-ene
- English name
- 2-Azabicyclo[3.2.1]oct-6-ene,2-(phenylsulfonyl)-
- Molecular weight
- 0
Names & synonyms
71017-42-02-Azabicyclo(3.2.1)oct-6-ene, 2-(phenylsulfonyl)-2-Azabicyclo[3.2.1]oct-6-ene,2-(phenylsulfonyl)-DTXSID209913252-(BENZENESULFONYL)-2-AZABICYCLO[3.2.1]OCT-6-ENE
Database identifiers
- CAS
71017-42-0- PubChem CID
- 144451
- DTXSID
DTXSID20991325
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 404
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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