Basic information
- CAS
1104742-25-7- Standard SMILES
Br.O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1cccc([N+](=O)[O-])c1- InChIKey
MUXNMXFHYREANF-UHFFFAOYSA-N- Molecular formula
- C18H14BrClN3O3+
- Average molar mass
- 435.7 g/mol
- Monoisotopic mass
- 433.99071
Names & identifiers
- Preferred name
- 4-(3-Chloro-phenyl)-1-(2-(3-nitro-phenyl)-2-oxo-ethyl)-pyrimidin-1-ium, bromide
- IUPAC
- 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone;hydrobromide
Names & synonyms
4-(3-CHLORO-PHENYL)-1-(2-(3-NITRO-PHENYL)-2-OXO-ETHYL)-PYRIMIDIN-1-IUM, BROMIDE
Database identifiers
- CAS
1104742-25-7- PubChem CID
- 126957832
- EC Number
- 167-255-9
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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