Basic information
- Standard SMILES
COc1cc(Cl)ccc1-c1cc[n+]([O-])cc1- InChIKey
UBOXDMMIRBHWEY-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- 4-(4-Chloro-2-methoxyphenyl)pyridine 1-oxide
- IUPAC
- 4-(4-chloro-2-methoxyphenyl)-1-oxidopyridin-1-ium
Names & synonyms
SCHEMBL3476640UBOXDMMIRBHWEY-UHFFFAOYSA-N4-(4-Chloro-2-methoxyphenyl)pyridine 1-oxide
Database identifiers
- PubChem CID
- 57950290
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
4 records
Compound notes
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