Basic information
- CAS
31368-36-2- Standard SMILES
O=[N+]([O-])c1cccc(/C=C/C=C\c2ccc(S(=O)(=O)F)c(Cl)c2)c1- InChIKey
TYLHEUZKIPQQER-IKENXXAYSA-N- Molecular formula
- C16H11ClFNO4S
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.0081349
Names & identifiers
- Preferred name
- 2-chloro-4-[(1Z,3E)-4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
- IUPAC
- 2-chloro-4-[(1Z,3E)-4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
Names & synonyms
NSC212344NSC-212344
Database identifiers
- CAS
31368-36-2- PubChem CID
- 54599409
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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