Basic information
- CAS
35689-39-5- Standard SMILES
CC[NH+](CC)CCOC(=O)c1oc2c(Br)c(OC)c(Br)cc2c1C.[Cl-]- InChIKey
FDOARBMUPOIGSG-UHFFFAOYSA-N- Molecular formula
- C17H22Br2ClNO4
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 496.96041
Names & identifiers
- Preferred name
- 2-Benzofurancarboxylic acid, 5,7-dibromo-6-methoxy-3-methyl-, diethylaminoethyl ester, hydrochloride
- IUPAC
- 2-(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-diethylazanium chloride
Names & synonyms
35689-39-52-Benzofurancarboxylic acid, 5,7-dibromo-6-methoxy-3-methyl-, diethylaminoethyl ester, hydrochlorideRefChem:1062316
Database identifiers
- CAS
35689-39-5- PubChem CID
- 37232
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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