2-Benzofurancarboxylic acid, 5-bromo-6-methoxy-3-methyl-, dimethlyaminoethyl ester, hydrochloride
Basic information
- CAS
35689-37-3- Standard SMILES
COc1cc2oc(C(=O)OCC[NH+](C)C)c(C)c2cc1Br.[Cl-]- InChIKey
QVKNWTRXNGCDNR-UHFFFAOYSA-N- Molecular formula
- C15H19BrClNO4
- Average molar mass
- 392.67 g/mol
- Monoisotopic mass
- 391.0186
Names & identifiers
- Preferred name
- 2-Benzofurancarboxylic acid, 5-bromo-6-methoxy-3-methyl-, dimethlyaminoethyl ester, hydrochloride
- IUPAC
- 2-(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride
Names & synonyms
35689-37-32-Benzofurancarboxylic acid, 5-bromo-6-methoxy-3-methyl-, dimethlyaminoethyl ester, hydrochlorideRefChem:1062317
Database identifiers
- CAS
35689-37-3- PubChem CID
- 37230
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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