Basic information
- CAS
59956-49-9- Standard SMILES
CCC(CC)OC(=O)CBr- InChIKey
CZNMIRVWHNANPV-UHFFFAOYSA-N- Molecular formula
- C7H13BrO2
- Average molar mass
- 209.08 g/mol
- Monoisotopic mass
- 208.00989
Names & identifiers
- Preferred name
- Pentan-3-yl bromoacetate
- IUPAC
- pentan-3-yl 2-bromoacetate
Names & synonyms
59956-49-9NSC 406059Pentan-3-yl bromoacetateNSC406059SCHEMBL9298460Bromoacetic acid, 3-pentyl esterDTXSID50324223CZNMIRVWHNANPV-UHFFFAOYSA-NNSC-406059
Database identifiers
- CAS
59956-49-9- PubChem CID
- 347397
- DTXSID
DTXSID50324223
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Related reactions
1 records
Compound notes
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