Pyridin-4-yl benzoate
Basic information
- CAS
36228-61-2- Standard SMILES
O=C(Oc1ccncc1)c1ccccc1- InChIKey
RLCXXYMFUGQTMG-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- Pyridin-4-yl benzoate
- IUPAC
- pyridin-4-yl benzoate
Names & synonyms
pyridin-4-yl benzoate36228-61-2DTXSID10303034RefChem:376420DTXCID002541674-pyridylbenzoateNSC156157SCHEMBL7802215SCHEMBL9097970SCHEMBL27347084NSC-156157
Database identifiers
- CAS
36228-61-2- PubChem CID
- 291203
- DTXSID
DTXSID10303034- Nikkaji
- J647.477B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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