Basic information
- CAS
85153-52-2- Standard SMILES
CCCCC(Cl)C(=O)OCC- InChIKey
XNHUSSQEMIESJC-UHFFFAOYSA-N- Molecular formula
- C8H15ClO2
- Average molar mass
- 178.65 g/mol
- Monoisotopic mass
- 178.0760574
Names & identifiers
- Preferred name
- Ethyl 2-chlorohexanoate
- IUPAC
- ethyl 2-chlorohexanoate
- English name
- ethyl 2-chlorohexanoate
- Molecular formula
- C8H15ClO2
- Molecular weight
- 178.66
Names & synonyms
Ethyl 2-chlorohexanoate85153-52-2EINECS 285-834-5DTXSID601005586RefChem:138587DTXCID101432467285-834-5ethyl chlorohexanoateSCHEMBL8155883XNHUSSQEMIESJC-UHFFFAOYSA-NAKOS011507325NS00064112
Show more names
2-Chlorohexanoic acid ethyl ester
Database identifiers
- CAS
85153-52-2- PubChem CID
- 3020439
- DTXSID
DTXSID601005586- EC Number
- 285-834-5
- Nikkaji
- J309.840K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Hexanoic acid, 2-chloro-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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