Acetic acid;2-(bromomethyl)-3-methylbutan-1-ol
Basic information
- CAS
79190-69-5- Standard SMILES
CC(=O)O.CC(C)C(CO)CBr- InChIKey
GVTHCWAEDZOFES-UHFFFAOYSA-N- Molecular formula
- C8H17BrO3
- Average molar mass
- 241.12 g/mol
- Monoisotopic mass
- 240.03611
Names & identifiers
- Preferred name
- Acetic acid;2-(bromomethyl)-3-methylbutan-1-ol
- IUPAC
- acetic acid;2-(bromomethyl)-3-methylbutan-1-ol
Names & synonyms
79190-69-5DTXSID60822588Acetic acid--2-(bromomethyl)-3-methylbutan-1-ol (1/1)
Database identifiers
- CAS
79190-69-5- PubChem CID
- 71401552
- DTXSID
DTXSID60822588
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 85.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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