Basic information
- CAS
65919-89-3- Standard SMILES
CCOC(=O)c1cc2c(Br)c(O)c(C[NH+](C)C)cc2o1.[Cl-]- InChIKey
LCDXCJSOHGXSFD-UHFFFAOYSA-N- Molecular formula
- C14H17BrClNO4
- Average molar mass
- 378.64 g/mol
- Monoisotopic mass
- 377.00295
Names & identifiers
- Preferred name
- 2-Benzofurancarboxylic acid, 4-bromo-6-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochloride
- IUPAC
- (4-bromo-2-ethoxycarbonyl-5-hydroxy-1-benzofuran-6-yl)methyl-dimethylazanium chloride
Names & synonyms
65919-89-32-Benzofurancarboxylic acid, 4-bromo-6-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochloride2-Carboethoxy-4-bromo-5-hydroxy-6-dimethylaminomethylbenzofuran hydrochlorideRefChem:256364
Database identifiers
- CAS
65919-89-3- PubChem CID
- 47776
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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