Undecyl bromoacetate
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Basic information
- CAS
5458-28-6- Standard SMILES
CCCCCCCCCCCOC(=O)CBr- InChIKey
ZKYYTXGLBLLRQL-UHFFFAOYSA-N- Molecular formula
- C13H25BrO2
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 292.10379
Names & identifiers
- Preferred name
- Undecyl bromoacetate
- IUPAC
- undecyl 2-bromoacetate
- English name
- undecyl 2-bromoacetate
- Molecular formula
- C13H25BrO2
- Molecular weight
- 293.24
Names & synonyms
undecyl bromoacetate5458-28-6DTXSID90281942RefChem:386916DTXCID80233096ZKYYTXGLBLLRQL-UHFFFAOYSA-NNSC23542SCHEMBL28695927NSC-23542undecyl 2-bromoacetateAcetic acid, 2-bromo-, undecyl ester
Database identifiers
- CAS
5458-28-6- PubChem CID
- 229703
- DTXSID
DTXSID90281942
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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