3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester
Basic information
- CAS
55831-71-5- Standard SMILES
CCOC(=O)c1c(C)oc2cc(CN(CC)CC)c(O)c(Cl)c12- InChIKey
JESDSQFJPIFGTL-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO4
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1237359
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester
- IUPAC
- ethyl 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Names & synonyms
3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester55831-71-54-Chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl esterDTXSID00204420RefChem:276889DTXCID00126911SCHEMBL11818587ETHYL 4-CHLORO-6-[(DIETHYLAMINO)METHYL]-5-HYDROXY-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
Database identifiers
- CAS
55831-71-5- PubChem CID
- 41639
- DTXSID
DTXSID00204420- Nikkaji
- J71.504B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…