Basic information
- Standard SMILES
CCOC(=O)C(Br)(Cc1ccccc1)C(=O)[O-]- InChIKey
LAQNQYXOFPSGSW-UHFFFAOYSA-M- Molecular formula
- C12H12BrO4-
- Average molar mass
- 300.12 g/mol
Names & identifiers
- Preferred name
- Ethyl bromo-(phenylmethyl)propanedioate
- IUPAC
- 2-benzyl-2-bromo-3-ethoxy-3-oxopropanoate
Names & synonyms
LAQNQYXOFPSGSW-UHFFFAOYSA-MEthyl bromo-(phenylmehyl)propanedioateEthyl bromo-(phenylmethyl)propanedioate
Database identifiers
- PubChem CID
- 86007639
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- -1
- Complexity
- 281
Related reactions
4 records
Compound notes
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