Basic information
- CAS
309720-68-1- Standard SMILES
CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c(F)c1- InChIKey
JXZUMLSUMUKDFS-UHFFFAOYSA-N- Molecular formula
- C18H17F2N3O3
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 361.12379774
Names & identifiers
- Preferred name
- 1-[3-Fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]phenyl]ethanone
- IUPAC
- 1-[3-fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]phenyl]ethanone
- English name
- 1-[3-fluoro-4-(4-{2-fluoro-4-nitrophenyl}-1-piperazinyl)phenyl]ethanone
- Molecular formula
- C18H17F2N3O3
- Molecular weight
- 361.3426864
Names & synonyms
1-[3-fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]phenyl]ethanoneAKOS001736167AG-205/13629018SR-01000528700SR-01000528700-11-[3-fluoro-4-(4-{2-fluoro-4-nitrophenyl}-1-piperazinyl)phenyl]ethanone309720-68-1
Database identifiers
- CAS
309720-68-1- PubChem CID
- 2872210
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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