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Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(Oc2cc(C(=O)O)cc3c2CC(C)(C)O3)cc1F- InChIKey
WNDYSMRLRBNLCM-UHFFFAOYSA-N- Molecular formula
- C22H23FO6
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-tert-Butoxycarbonyl-3-fluoro-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid
- IUPAC
- 4-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid
Names & synonyms
SCHEMBL643947WNDYSMRLRBNLCM-UHFFFAOYSA-N4-(4-tert-Butoxycarbonyl-3-fluoro-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid
Database identifiers
- PubChem CID
- 59559986
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 627
Related reactions
6 records
Compound notes
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