2-(2-Pyridin-4-ylethyl)benzoic acid hydrochloride
Basic information
- CAS
1185303-77-8- Standard SMILES
Cl.O=C(O)c1ccccc1CCc1ccncc1- InChIKey
ORZUKKIAKAPQQC-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Names & identifiers
- Preferred name
- 2-(2-Pyridin-4-ylethyl)benzoic acid hydrochloride
- IUPAC
- 2-(2-pyridin-4-ylethyl)benzoic acid;hydrochloride
Names & synonyms
1185535-91-42-(2-PYRIDIN-4-YLETHYL)BENZOIC ACID HYDROCHLORIDE2-(2-(Pyridin-4-yl)ethyl)benzoic acid hydrochloride2-(2-pyridin-4-ylethyl)benzoic acid;hydrochloride2-(2-Pyridin-4-ylethyl)benzoic acidhydrochloride2-[2-(pyridin-4-yl)ethyl]benzoic acid hydrochloride0568ADAKOS015849180
Database identifiers
- CAS
1185303-77-8- PubChem CID
- 45075113
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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