Basic information
- CAS
1104742-44-0- Standard SMILES
Br.O=C(C[n+]1ccc(-c2ccc(F)cc2)nc1)c1ccc(Cl)cc1- InChIKey
FKWAGWVZVMIRQK-UHFFFAOYSA-N- Molecular formula
- C18H14BrClFN2O+
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 406.99621
Names & identifiers
- Preferred name
- 1-(2-(4-Chloro-phenyl)-2-oxo-ethyl)-4-(4-fluoro-phenyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
Names & synonyms
1-(2-(4-CHLORO-PHENYL)-2-OXO-ETHYL)-4-(4-FLUORO-PHENYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1104742-44-0- PubChem CID
- 126957841
- EC Number
- 167-746-8
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…