Basic information
- Standard SMILES
Cc1cc(Br)ccc1CC(=O)OC(C)(C)C- InChIKey
HGPFZCCPNAXEOT-UHFFFAOYSA-N- Molecular formula
- C13H17BrO2
- Average molar mass
- 285.18 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (4-bromo-2-methylphenyl)acetate
- IUPAC
- tert-butyl 2-(4-bromo-2-methylphenyl)acetate
Names & synonyms
SCHEMBL2254145HGPFZCCPNAXEOT-UHFFFAOYSA-Ntert-butyl(4-bromo-2-methylphenyl)acetateDB-110176tert-butyl (4-bromo-2-methylphenyl)acetate866930-92-9
Database identifiers
- PubChem CID
- 67335992
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
3 records
Compound notes
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