Basic information
- CAS
116475-69-5- Standard SMILES
CCOC(=O)C1(C(=O)OCC)Cc2c(Cl)cc(OC)cc2O1- InChIKey
MPQBDKBCHFSPOC-UHFFFAOYSA-N- Molecular formula
- C15H17ClO6
- Average molar mass
- 328.74 g/mol
- Monoisotopic mass
- 328.071366
Names & identifiers
- Preferred name
- Diethyl 4-chloro-6-methoxy-1-benzofuran-2,2(3H)-dicarboxylate
- IUPAC
- diethyl 4-chloro-6-methoxy-3H-1-benzofuran-2,2-dicarboxylate
Names & synonyms
DTXSID901179071Diethyl 4-chloro-6-methoxy-1-benzofuran-2,2(3H)-dicarboxylate2,2-Diethyl 4-chloro-6-methoxy-2,2(3H)-benzofurandicarboxylate116475-69-5
Database identifiers
- CAS
116475-69-5- PubChem CID
- 85563753
- DTXSID
DTXSID901179071
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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