Basic information
- CAS
872691-36-6- Standard SMILES
Br.O=C(C[n+]1ccc(-c2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1- InChIKey
MKDAUWSKAYNFDK-UHFFFAOYSA-N- Molecular formula
- C18H14BrCl2N2O+
- Average molar mass
- 425.1 g/mol
- Monoisotopic mass
- 422.96666
Names & identifiers
- Preferred name
- 4-(4-Chloro-phenyl)-1-(2-(4-chloro-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
- English name
- 4-(4-Chloro-phenyl)-1-(2-(4-chloro-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- Molecular weight
- 0
Names & synonyms
4-(4-CHLORO-PHENYL)-1-(2-(4-CHLORO-PHENYL)-2-OXO-ETHYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
872691-36-6- PubChem CID
- 126957845
- EC Number
- 167-710-1
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
- 390
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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