Basic information
- CAS
66902-52-1- Standard SMILES
O=C(OCCc1cccc[nH+]1)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
TZNFGJACOZYRFM-UHFFFAOYSA-N- Molecular formula
- C21H20ClNO2
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.1182566
Names & identifiers
- Preferred name
- 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- 2-pyridin-1-ium-2-ylethyl 2,2-diphenylacetate chloride
Names & synonyms
66902-52-1DTXSID509855302-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)RefChem:1062040DTXCID101412722Diphenylacetic acid 2-(2-pyridyl)ethyl ester hydrochlorideACETIC ACID, DIPHENYL-, 2-(2-PYRIDYL)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-52-1- PubChem CID
- 48262
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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