Basic information
- CAS
55831-72-6- Standard SMILES
CCOC(=O)c1c(C)oc2cc(CN3CCOCC3)c(O)c(Cl)c12- InChIKey
OFLKTCIOLCBSLL-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO5
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.1030004
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-(morpholinomethyl)-, ethyl ester
- IUPAC
- ethyl 4-chloro-5-hydroxy-2-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
Names & synonyms
BRN 12247304-Chloro-5-hydroxy-2-methyl-6-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester55831-72-63-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-(morpholinomethyl)-, ethyl esterRefChem:276888SCHEMBL11819089DTXSID90971235Ethyl 4-chloro-5-hydroxy-2-methyl-6-[(morpholin-4-yl)methyl]-1-benzofuran-3-carboxylate
Database identifiers
- CAS
55831-72-6- PubChem CID
- 41640
- DTXSID
DTXSID90971235- Nikkaji
- J71.508E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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