Basic information
- CAS
1104742-64-4- Standard SMILES
Br.O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccc(Br)cc1- InChIKey
BBOVHJMSOZRUJK-UHFFFAOYSA-N- Molecular formula
- C18H14Br3N2O+
- Average molar mass
- 514 g/mol
- Monoisotopic mass
- 510.86563
Names & identifiers
- Preferred name
- 4-(3-Bromo-phenyl)-1-(2-(4-bromo-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-bromophenyl)-2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
Names & synonyms
4-(3-BROMO-PHENYL)-1-(2-(4-BROMO-PHENYL)-2-OXO-ETHYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1104742-64-4- PubChem CID
- 126957852
- EC Number
- 167-801-6
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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