Undecyl chloroacetate
Basic information
- CAS
5458-29-7- Standard SMILES
CCCCCCCCCCCOC(=O)CCl- InChIKey
TUVDFKPEKORZQI-UHFFFAOYSA-N- Molecular formula
- C13H25ClO2
- Average molar mass
- 248.79 g/mol
- Monoisotopic mass
- 248.1543077
Names & identifiers
- Preferred name
- Undecyl chloroacetate
- IUPAC
- undecyl 2-chloroacetate
Names & synonyms
Undecyl chloroacetate5458-29-7Chloroacetic acid, undecyl esterDTXSID50281943RefChem:386917DTXCID40233097TUVDFKPEKORZQI-UHFFFAOYSA-NUndecyl chloroacetate #chloroacetic acid undecyl esterSCHEMBL28693143NSC23543NSC-23543
Database identifiers
- CAS
5458-29-7- PubChem CID
- 229704
- DTXSID
DTXSID50281943
Properties
Computed structural properties
- XLogP
- 5.7
- 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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