Basic information
- Standard SMILES
CCC(CC=Cc1ccccc1Br)(C(=O)O)C(=O)O- InChIKey
IBDWDDDFMDZGTQ-UHFFFAOYSA-N- Molecular formula
- C14H15BrO4
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.01537
Names & identifiers
- Preferred name
- 2-Bromobenzylidene diethylmalonic acid
- IUPAC
- 2-[3-(2-bromophenyl)prop-2-enyl]-2-ethylpropanedioic acid
Names & synonyms
SCHEMBL1582176IBDWDDDFMDZGTQ-UHFFFAOYSA-N2-bromobenzylidene diethylmalonic acid
Database identifiers
- PubChem CID
- 67084645
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
6 records
Linked notes
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