Basic information
- Standard SMILES
Cc1cc(C(=O)OC(C)(C)C)cc(C)c1Br- InChIKey
LYHLHZACQVOWMX-UHFFFAOYSA-N- Molecular formula
- C13H17BrO2
- Average molar mass
- 285.18 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-bromo-3,5-dimethylbenzoate
- IUPAC
- tert-butyl 4-bromo-3,5-dimethylbenzoate
Names & synonyms
tert-butyl 4-bromo-3,5-dimethylbenzoate440105-29-31,1-Dimethylethyl 4-bromo-3,5-dimethylbenzoateMFCD28347195SCHEMBL848484LYHLHZACQVOWMX-UHFFFAOYSA-NSY290060DB-419758H392554-bromo-3,5-dimethyl-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66816641
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
1 records
Compound notes
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