Basic information
- Standard SMILES
CC(Br)(C(=O)O)C(=O)O- InChIKey
QHTRBQBPXGFDDO-UHFFFAOYSA-N- Molecular formula
- C4H5BrO4
- Average molar mass
- 196.98 g/mol
Names & identifiers
- Preferred name
- Bromisobernsteinsaure
- IUPAC
- 2-bromo-2-methylpropanedioic acid
Names & synonyms
Bromisobernsteinsaure2-Bromo-2-methyl malonic acidSCHEMBL1292273QHTRBQBPXGFDDO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20164416
- Nikkaji
- J3.774.356I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Related reactions
2 records
Compound notes
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