Basic information
- Standard SMILES
NC(=O)CC(Br)C(=O)O- InChIKey
VOHGVHFOVIFUSA-UHFFFAOYSA-N- Molecular formula
- C4H6BrNO3
- Average molar mass
- 196 g/mol
- Monoisotopic mass
- 194.95311
Names & identifiers
- Preferred name
- 4-Amino-2-bromo-4-oxobutanoic acid
- IUPAC
- 4-amino-2-bromo-4-oxobutanoic acid
Names & synonyms
4-amino-2-bromo-4-oxobutanoic acid(-)-2-bromosuccinamic acid33149-85-8SCHEMBL9854879AT53308
Database identifiers
- PubChem CID
- 19981905
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 136
Related reactions
2 records
Compound notes
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