3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
Basic information
- CAS
40500-82-1- Standard SMILES
O=S(=O)(OCC1CC2CCC1CC2)c1ccc(Br)cc1- InChIKey
YACWBNJPMFWCGW-UHFFFAOYSA-N- Molecular formula
- C15H19BrO3S
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.02383
Names & identifiers
- Preferred name
- 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
- IUPAC
- 2-bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
Names & synonyms
40500-82-1NSC1675073-bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonateDTXSID20304830NSC-167507(Bicyclo[2.2.2]octan-2-yl)methyl 4-bromobenzene-1-sulfonate
Database identifiers
- CAS
40500-82-1- PubChem CID
- 296935
- DTXSID
DTXSID20304830
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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