Basic information
- CAS
54246-65-0- Standard SMILES
O=[N+]([O-])c1cnc(/C=C/c2ccccc2)nc1- InChIKey
CMNLEIRGOGWIBG-VOTSOKGWSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- Pyrimidine, 5-nitro-2-styryl-
- IUPAC
- 5-nitro-2-[(E)-2-phenylethenyl]pyrimidine
Names & synonyms
5-Nitro-2-styrylpyrimidine54246-65-0Pyrimidine, 5-nitro-2-styryl-NSC108855NSC-108855
Database identifiers
- CAS
54246-65-0- PubChem CID
- 5463293
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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