Basic information
- CAS
3414-25-3- Standard SMILES
Cl.O=C(OCCCc1ccccn1)c1cc(Cl)cc(Cl)c1- InChIKey
SGSRUPOZNULELN-UHFFFAOYSA-N- Molecular formula
- C15H14Cl3NO2
- Average molar mass
- 346.6 g/mol
- Monoisotopic mass
- 345.009012
Names & identifiers
- Preferred name
- 2-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride
- IUPAC
- 3-pyridin-2-ylpropyl 3,5-dichlorobenzoate;hydrochloride
Names & synonyms
2-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride3414-25-3DTXSID40187723Benzoic acid, 3,5-dichloro-, 3-(2-pyridyl)propyl ester, hydrochlorideRefChem:266646DTXCID001102143-(Pyridin-2-yl)propyl 3,5-dichlorobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
3414-25-3- PubChem CID
- 201206
- DTXSID
DTXSID40187723
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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