Basic information
- Standard SMILES
CC(C)(C)C1(C(=O)[O-])C=CC(Br)=CC1- InChIKey
KTNVIQNGKXTCTP-UHFFFAOYSA-M- Molecular formula
- C11H14BrO2-
- Average molar mass
- 258.13 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl-4-bromobenzoate
- IUPAC
- 4-bromo-1-tert-butylcyclohexa-2,4-diene-1-carboxylate
Names & synonyms
1-tert-butyl-4-bromobenzoateKTNVIQNGKXTCTP-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 22925890
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 304
Related reactions
2 records
Compound notes
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