Basic information
- CAS
40807-05-4- Standard SMILES
O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)c2ccccc2)c1- InChIKey
QPDCKELHZKDQNP-MDZDMXLPSA-N- Molecular formula
- C14H11NO4S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.04087901
Names & identifiers
- Preferred name
- 1-[(E)-2-(benzenesulfonyl)ethenyl]-3-nitrobenzene
- IUPAC
- 1-[(E)-2-(benzenesulfonyl)ethenyl]-3-nitrobenzene
Names & synonyms
NSC14018840807-05-4SCHEMBL7905287NSC-140188
Database identifiers
- CAS
40807-05-4- PubChem CID
- 5382425
- Nikkaji
- J1.823.317G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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