Basic information
- CAS
1104753-02-7- Standard SMILES
Br.COc1ccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)c(OC)c1- InChIKey
NLIQVMSCKZPSSC-UHFFFAOYSA-N- Molecular formula
- C20H19Br2N2O3+
- Average molar mass
- 495.2 g/mol
- Monoisotopic mass
- 492.97624
Names & identifiers
- Preferred name
- 1-(2-(4-BR-PH)-2-Oxo-ethyl)-4-(2,4-dimethoxy-phenyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-bromophenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
Names & synonyms
1-(2-(4-BR-PH)-2-OXO-ETHYL)-4-(2,4-DIMETHOXY-PHENYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1104753-02-7- PubChem CID
- 126957865
- EC Number
- 167-812-6
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- 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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