Basic information
- Standard SMILES
CC(C)C(=O)OCBr- InChIKey
UBBUBYNDGCSWCK-UHFFFAOYSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
- Monoisotopic mass
- 179.97859
Names & identifiers
- Preferred name
- Bromomethyl isobutyrate
- IUPAC
- bromomethyl 2-methylpropanoate
Names & synonyms
bromomethyl isobutyrate74416-82-3bromomethyl 2-methylpropanoateMFCD33395830SCHEMBL828525SCHEMBL7939181UBBUBYNDGCSWCK-UHFFFAOYSA-NAS-76368SY491256D94295F817804
Database identifiers
- PubChem CID
- 20156133
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Related reactions
1 records
Compound notes
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