2-(Diethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate hydrochloride
Basic information
- CAS
35689-10-2- Standard SMILES
CCN(CC)CCOC(=O)c1oc2cc(OC)c(Br)cc2c1C.Cl- InChIKey
OLMSOPOVCMCOHX-UHFFFAOYSA-N- Molecular formula
- C17H23BrClNO4
- Average molar mass
- 420.7 g/mol
- Monoisotopic mass
- 419.0499
Overview
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Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate;hydrochloride
Names & synonyms
2-(diethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate hydrochloride2-(diethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate;hydrochloride
Database identifiers
- CAS
35689-10-2- PubChem CID
- 45926274
- DTXSID
DTXSID50957070
Properties
Computed structural properties
- Topological polar surface area
- 51.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
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