Basic information
- CAS
4329-73-1- Standard SMILES
O=[N+]([O-])c1ccc(C[n+]2ccccc2)cc1.[Br-]- InChIKey
BAHZTGRLJGIBKV-UHFFFAOYSA-M- Molecular formula
- C12H11BrN2O2
- Average molar mass
- 295.13 g/mol
- Monoisotopic mass
- 294.00039
Names & identifiers
- Preferred name
- Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)
- IUPAC
- 1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide
Names & synonyms
4329-73-1Pyridinium, 1-((4-nitrophenyl)methyl)-, bromide (1:1)Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)RefChem:3769721-[(4-nitrophenyl)methyl]pyridin-1-ium bromideNSC 1500001-(4-NITROBENZYL)PYRIDINIUM BROMIDEHMS2208A18MLS001241048SCHEMBL7965212CHEMBL1711623DTXSID90332680
Show more names
HMS3352F02N-(p-nitrobenzyl)pyridinium bromideNSC150000AKOS024333307NSC-150000SMR0008411571-[(4-nitrophenyl)methyl]pyridin-1-ium;bromide
Database identifiers
- CAS
4329-73-1- PubChem CID
- 459591
- DTXSID
DTXSID90332680- ChEMBL
CHEMBL1711623
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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