Basic information
- Standard SMILES
CC(C)(C)c1ccc(OCC(=O)O)cc1F- InChIKey
QNIXSOVRHBGARS-UHFFFAOYSA-N- Molecular formula
- C12H15FO3
- Average molar mass
- 226.24 g/mol
- Monoisotopic mass
- 226.1005225
Names & identifiers
- Preferred name
- (4-tert-Butyl-3-fluorophenoxy)acetic acid
- IUPAC
- 2-(4-tert-butyl-3-fluorophenoxy)acetic acid
Names & synonyms
SCHEMBL3923991QNIXSOVRHBGARS-UHFFFAOYSA-N(4-tert-Butyl-3-fluorophenoxy)aceticacid(4-tert-Butyl-3-fluorophenoxy)acetic acid(4-tert-Butyl-3-fluorophenoxy) acetic acid
Database identifiers
- PubChem CID
- 21097504
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
10 records
Compound notes
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