Diethyl benzyl(1-bromo-2-oxo-2-phenylethyl)propanedioate
Basic information
- CAS
7505-08-0- Standard SMILES
CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)C(Br)C(=O)c1ccccc1- InChIKey
YHUVJTGGAOGAAZ-UHFFFAOYSA-N- Molecular formula
- C22H23BrO5
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.07289
Names & identifiers
- Preferred name
- Diethyl benzyl(1-bromo-2-oxo-2-phenylethyl)propanedioate
- IUPAC
- diethyl 2-benzyl-2-(1-bromo-2-oxo-2-phenylethyl)propanedioate
Names & synonyms
7505-08-0NSC404864Diethyl benzyl(1-bromo-2-oxo-2-phenylethyl)propanedioateDTXSID30331278NSC-404864
Database identifiers
- CAS
7505-08-0- PubChem CID
- 436876
- DTXSID
DTXSID30331278
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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