Basic information
- CAS
1103143-65-2- Standard SMILES
Br.COc1ccc(-c2cc[n+](CC(=O)c3ccc(F)cc3)cn2)cc1OC- InChIKey
WRXAGWDDGWDDSW-UHFFFAOYSA-N- Molecular formula
- C20H19BrFN2O3+
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 433.05631
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxy-PH)-1-(2-(4-F-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- IUPAC
- 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
Names & synonyms
4-(3,4-DIMETHOXY-PH)-1-(2-(4-F-PHENYL)-2-OXO-ETHYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1103143-65-2- PubChem CID
- 126957868
- EC Number
- 167-807-9
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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