Basic information
- CAS
1104754-26-8- Standard SMILES
Br.O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc(Cl)cc1- InChIKey
JBVWVXMTRCXNQN-UHFFFAOYSA-N- Molecular formula
- C22H17BrClN2O+
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 439.02128
Names & identifiers
- Preferred name
- 1-(2-(4-Chloro-phenyl)-2-oxo-ethyl)-4-naphthalen-2-YL-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-chlorophenyl)-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone;hydrobromide
Names & synonyms
1-(2-(4-CHLORO-PHENYL)-2-OXO-ETHYL)-4-NAPHTHALEN-2-YL-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1104754-26-8- PubChem CID
- 126957872
- EC Number
- 167-693-0
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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