Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
Basic information
- CAS
71783-90-9- Standard SMILES
O=C(COc1ccc(Cl)cc1)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
HZOXOFGNIWMWQZ-UHFFFAOYSA-N- Molecular formula
- C16H23Cl2NO3
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 347.105499
Names & identifiers
- Preferred name
- Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate chloride
Names & synonyms
Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride71783-90-9RefChem:1075613(4-Chlorophenoxy)acetic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Database identifiers
- CAS
71783-90-9- PubChem CID
- 51396
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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