Basic information
- CAS
14178-29-1- Standard SMILES
O=C(c1ccccc1)c1cc[n+]([O-])cc1- InChIKey
UQNSTGILJBPJQN-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- (1-Oxidopyridin-4-yl)(phenyl)methanone
- IUPAC
- (1-oxidopyridin-1-ium-4-yl)-phenylmethanone
Names & synonyms
14178-29-1(1-oxidopyridin-4-yl)(phenyl)methanoneDTXSID60292005RefChem:204654DTXCID502431474-benzoylpyridine N-oxideMethanone,(1-oxido-4-pyridinyl)phenyl-(1-oxido-4-pyridinyl)(phenyl)methanone4-Benzoylpyridine 1-oxide(1-oxidopyridin-1-ium-4-yl)-phenylmethanoneNSC79585MLS000550174
Show more names
CHEMBL1452183SCHEMBL10630725UQNSTGILJBPJQN-UHFFFAOYSA-NHMS2409K16NSC-79585NSC152134NSC-152134SMR000115614
Database identifiers
- CAS
14178-29-1- PubChem CID
- 254875
- DTXSID
DTXSID60292005- ChEMBL
CHEMBL1452183- Nikkaji
- J929.419H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Related reactions
2 records
Compound notes
Loading…