1-Fluoro-4-{2-[(4-nitrophenyl)methanesulfonyl]ethenyl}benzene
Basic information
- CAS
664979-27-5- Standard SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1- InChIKey
JSDSHXYPNVZIGI-UHFFFAOYSA-N- Molecular formula
- C15H12FNO4S
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.0471072
Names & identifiers
- Preferred name
- 1-Fluoro-4-{2-[(4-nitrophenyl)methanesulfonyl]ethenyl}benzene
- IUPAC
- 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-nitrobenzene
Names & synonyms
664979-27-51-Fluoro-4-{2-[(4-nitrophenyl)methanesulfonyl]ethenyl}benzeneSCHEMBL1194688DTXSID707080661-Fluoro-4-{2-[(4-nitrophenyl)methanesulfonyl]ethen-1-yl}benzene
Database identifiers
- CAS
664979-27-5- PubChem CID
- 53971815
- DTXSID
DTXSID70708066
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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