3-Phenylpropyl 2-bromo-2-methylpropanoate
Basic information
- CAS
921928-84-9- Standard SMILES
CC(C)(Br)C(=O)OCCCc1ccccc1- InChIKey
OVLCNWFRXKGSMA-UHFFFAOYSA-N- Molecular formula
- C13H17BrO2
- Average molar mass
- 285.18 g/mol
- Monoisotopic mass
- 284.04119
Names & identifiers
- Preferred name
- 3-Phenylpropyl 2-bromo-2-methylpropanoate
- IUPAC
- 3-phenylpropyl 2-bromo-2-methylpropanoate
Names & synonyms
3-Phenylpropyl 2-bromo-2-methylpropanoate921928-84-9DTXSID50841026
Database identifiers
- CAS
921928-84-9- PubChem CID
- 71421982
- DTXSID
DTXSID50841026
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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