Basic information
- CAS
1101694-26-1- Standard SMILES
Br.O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccc(Br)cc1- InChIKey
QOKRUNPSVHLISE-UHFFFAOYSA-N- Molecular formula
- C18H14Br2ClN2O+
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 466.91614
Names & identifiers
- Preferred name
- 1-(2-(4-Bromo-phenyl)-2-oxo-ethyl)-4-(3-chloro-phenyl)-pyrimidin-1-ium, bromide
- IUPAC
- 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
- English name
- 1-(2-(4-Bromo-phenyl)-2-oxo-ethyl)-4-(3-chloro-phenyl)-pyrimidin-1-ium, bromide
- Molecular formula
- C18H13BrClN2O.Br
- Molecular weight
- 468.57
Names & synonyms
1-(2-(4-BROMO-PHENYL)-2-OXO-ETHYL)-4-(3-CHLORO-PHENYL)-PYRIMIDIN-1-IUM, BROMIDEPyrimidinium, 1-[2-(4-bromophenyl)-2-oxoethyl]-4-(3-chlorophenyl)-, bromide (1:1)
Database identifiers
- CAS
1101694-26-1- PubChem CID
- 126957831
- EC Number
- 167-250-1
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
- 400
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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