Basic information
- CAS
353257-70-2- Standard SMILES
N#Cc1ccc(C(=O)Oc2cccnc2Cl)cc1- InChIKey
RXWMHJBZRPBZEG-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2
- Average molar mass
- 258.66 g/mol
- Monoisotopic mass
- 258.0196052
Names & identifiers
- Preferred name
- 2-Chloro-3-pyridinyl 4-cyanobenzoate
- IUPAC
- (2-chloro-3-pyridinyl) 4-cyanobenzoate
- English name
- 2-chloro-3-pyridinyl 4-cyanobenzoate
- Molecular formula
- C13H7ClN2O2
- Molecular weight
- 258.65988
Names & synonyms
2-chloro-3-pyridinyl 4-cyanobenzoateOprea1_059162(2-chloropyridin-3-yl) 4-cyanobenzoateAI-204/31702024
Database identifiers
- CAS
353257-70-2- PubChem CID
- 16044231
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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