Basic information
- CAS
1104754-10-0- Standard SMILES
Br.O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc(F)cc1- InChIKey
QPENTCZSUGBOEL-UHFFFAOYSA-N- Molecular formula
- C22H17BrFN2O+
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.05083
Names & identifiers
- Preferred name
- 1-(2-(4-Fluoro-phenyl)-2-oxo-ethyl)-4-naphthalen-2-YL-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-fluorophenyl)-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone;hydrobromide
- English name
- 1-(2-(4-Fluoro-phenyl)-2-oxo-ethyl)-4-naphthalen-2-yl-pyrimidin-1-ium, bromide
- Molecular formula
- C22H16FN2O.Br
- Molecular weight
- 423.28
Names & synonyms
1-(2-(4-FLUORO-PHENYL)-2-OXO-ETHYL)-4-NAPHTHALEN-2-YL-PYRIMIDIN-1-IUM, BROMIDEPyrimidinium, 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-naphthalenyl)-, bromide (1:1)
Database identifiers
- CAS
1104754-10-0- PubChem CID
- 126957871
- EC Number
- 167-788-7
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 477
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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