Basic information
- CAS
791-66-2- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)OCCC2CC=CC2)cc1- InChIKey
JFIFLLRYGYPEJT-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.06709375
Names & identifiers
- Preferred name
- 2-(Cyclopent-3-en-1-yl)ethyl 4-nitrobenzene-1-sulfonate
- IUPAC
- 2-cyclopent-3-en-1-ylethyl 4-nitrobenzenesulfonate
Names & synonyms
791-66-22-(Cyclopent-3-en-1-yl)ethyl 4-nitrobenzene-1-sulfonateDTXSID30822590
Database identifiers
- CAS
791-66-2- PubChem CID
- 71401554
- DTXSID
DTXSID30822590
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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