Basic information
- Standard SMILES
CC(=O)OCC(C)Br- InChIKey
XCOBTKAHXPWRJI-UHFFFAOYSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
Names & identifiers
- Preferred name
- 2-Bromopropyl acetate
- IUPAC
- 2-bromopropyl acetate
Names & synonyms
2-bromopropyl acetate592-19-82-bromopropylacetateSCHEMBL595742XCOBTKAHXPWRJI-UHFFFAOYSA-NEN300-1478537
Database identifiers
- PubChem CID
- 13129282
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 82.5
Related reactions
9 records
Compound notes
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