Acetic acid;4-bromo-3-methylbutan-1-ol
Basic information
- CAS
56761-58-1- Standard SMILES
CC(=O)O.CC(CBr)CCO- InChIKey
PBMJVERDIOUHBD-UHFFFAOYSA-N- Molecular formula
- C7H15BrO3
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 226.02046
Names & identifiers
- Preferred name
- Acetic acid;4-bromo-3-methylbutan-1-ol
- IUPAC
- acetic acid;4-bromo-3-methylbutan-1-ol
Names & synonyms
56761-58-1DTXSID20853297Acetic acid--4-bromo-3-methylbutan-1-ol (1/1)
Database identifiers
- CAS
56761-58-1- PubChem CID
- 71444530
- DTXSID
DTXSID20853297
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 70.1
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Compound notes
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