Basic information
- CAS
1104742-21-3- Standard SMILES
Br.O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccc(Cl)cc1- InChIKey
CVEYFUCPKDSGAI-UHFFFAOYSA-N- Molecular formula
- C18H14BrCl2N2O+
- Average molar mass
- 425.1 g/mol
- Monoisotopic mass
- 422.96666
Names & identifiers
- Preferred name
- 4-(3-Chloro-phenyl)-1-(2-(4-chloro-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-chlorophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
- English name
- 4-(3-Chloro-phenyl)-1-(2-(4-chloro-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- Molecular formula
- C18H13Cl2N2O.Br
- Molecular weight
- 424.12
Names & synonyms
4-(3-CHLORO-PHENYL)-1-(2-(4-CHLORO-PHENYL)-2-OXO-ETHYL)-PYRIMIDIN-1-IUM, BROMIDEPyrimidinium, 4-(3-chlorophenyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]-, bromide (1:1)
Database identifiers
- CAS
1104742-21-3- PubChem CID
- 126957830
- EC Number
- 141-451-4
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
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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