Basic information
- CAS
5345-58-4- Standard SMILES
CCCCC(CC)COC(=O)CCl- InChIKey
QZBQQHUYQKGPLQ-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.1073575
Names & identifiers
- Preferred name
- 2-Ethylhexyl chloroacetate
- IUPAC
- 2-ethylhexyl 2-chloroacetate
Names & synonyms
2-Ethylhexyl chloroacetate2-ethylhexyl 2-chloroacetateChloroacetic acid, 2-ethylhexyl ester5345-58-42-Ethylhexyl chloroacetate #SCHEMBL5472453NSC1710QZBQQHUYQKGPLQ-UHFFFAOYSA-NDTXSID401366774NSC-1710SBB061271AKOS024390956
Show more names
ST51047304
Database identifiers
- CAS
5345-58-4- PubChem CID
- 219908
- DTXSID
DTXSID401366774
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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