Ethyl 5-(dimethoxymethyl)-6,7-difluorobenzo[d]isoxazole-3-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1noc2c(F)c(F)c(C(OC)OC)cc12- InChIKey
SUILSYFGGBGEBQ-UHFFFAOYSA-N- Molecular formula
- C13H13F2NO5
- Average molar mass
- 301.24 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(dimethoxymethyl)-6,7-difluorobenzo[d]isoxazole-3-carboxylate
- IUPAC
- ethyl 5-(dimethoxymethyl)-6,7-difluoro-1,2-benzoxazole-3-carboxylate
Names & synonyms
SCHEMBL2313842SUILSYFGGBGEBQ-UHFFFAOYSA-Nethyl 5-(dimethoxymethyl)-6,7-difluorobenzo[d]isoxazole-3-carboxylate
Database identifiers
- PubChem CID
- 67360293
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
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Related reactions
4 records
Compound notes
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