2,3-Dibromo-3-phenylpropyl benzoate
Basic information
- CAS
40327-01-3- Standard SMILES
O=C(OCC(Br)C(Br)c1ccccc1)c1ccccc1- InChIKey
JJDWSNRLPFWNCM-UHFFFAOYSA-N- Molecular formula
- C16H14Br2O2
- Average molar mass
- 398.09 g/mol
- Monoisotopic mass
- 395.93605
Names & identifiers
- Preferred name
- 2,3-Dibromo-3-phenylpropyl benzoate
- IUPAC
- (2,3-dibromo-3-phenylpropyl) benzoate
Names & synonyms
40327-01-32,3-dibromo-3-phenylpropyl benzoateNSC18839DTXSID80280823NSC-18839
Database identifiers
- CAS
40327-01-3- PubChem CID
- 227316
- DTXSID
DTXSID80280823
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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