Basic information
- Standard SMILES
CC(CCCBr)C(C)C(=O)O- InChIKey
OAKNXOWEWRDGJF-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2,3-dimethylhexanoic acid
- IUPAC
- 6-bromo-2,3-dimethylhexanoic acid
Names & synonyms
SCHEMBL7388316OAKNXOWEWRDGJF-UHFFFAOYSA-N6-bromo-2,3-dimethylhexanoic acid
Database identifiers
- PubChem CID
- 18942136
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Related reactions
2 records
Compound notes
Loading…