Basic information
- CAS
5348-82-3- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCl- InChIKey
HDNSRULOUMXYKG-UHFFFAOYSA-N- Molecular formula
- C20H39ClO2
- Average molar mass
- 347 g/mol
- Monoisotopic mass
- 346.2638582
Names & identifiers
- Preferred name
- Octadecyl chloroacetate
- IUPAC
- octadecyl 2-chloroacetate
- English name
- octadecyl chloroacetate
- Molecular formula
- C20H39ClO2
- Molecular weight
- 346.98
Names & synonyms
Octadecyl chloroacetate5348-82-3EINECS 226-308-7DTXSID50201666NSC 1342NSC 46898Acetic acid, chloro-, octadecyl esterRefChem:167698DTXCID80124157226-308-7HDNSRULOUMXYKG-UHFFFAOYSA-NChloroacetic acid, octadecyl ester
Show more names
octadecyl-2-chloroacetate2-Chloroacetic acid octadecyl esterAcetic acid, 2-chloro-, octadecyl ester
NSC-1342NSC-46898octadecyl 2-chloroacetateAcetic acid, 2-chloro-,octadecyl esterOctadecyl chloroacetate #octadecyl monochloroacetateJRV5HTY74TSCHEMBL2232831
Database identifiers
- CAS
5348-82-3- PubChem CID
- 79299
- DTXSID
DTXSID50201666- UNII
- JRV5HTY74T
- EC Number
- 226-308-7
- Nikkaji
- J217.912A
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 381.1 · 381.1±10.0 °C(Predicted)
- Density
- 0.928 · 0.928±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
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