Propyl bromo(phenyl)acetate
Basic information
- CAS
6953-64-6- Standard SMILES
CCCOC(=O)C(Br)c1ccccc1- InChIKey
DFORELXXQPYYGT-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2
- Average molar mass
- 257.12 g/mol
- Monoisotopic mass
- 256.00989
Names & identifiers
- Preferred name
- Propyl bromo(phenyl)acetate
- IUPAC
- propyl 2-bromo-2-phenylacetate
Names & synonyms
propyl bromo(phenyl)acetateNSC38809SCHEMBL2419442DTXSID50284757NSC-38809
Database identifiers
- CAS
6953-64-6- PubChem CID
- 236378
- DTXSID
DTXSID50284757
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
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Related reactions
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Compound notes
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