2-Cyclohexylethyl chloroacetate
Basic information
- CAS
6280-64-4- Standard SMILES
O=C(CCl)OCCC1CCCCC1- InChIKey
DRXWZLAIMHQOGA-UHFFFAOYSA-N- Molecular formula
- C10H17ClO2
- Average molar mass
- 204.69 g/mol
- Monoisotopic mass
- 204.0917075
Names & identifiers
- Preferred name
- 2-Cyclohexylethyl chloroacetate
- IUPAC
- 2-cyclohexylethyl 2-chloroacetate
- English name
- Chloroacetic acid 2-cyclohexylethyl ester
- Molecular formula
- C10H17ClO2
- Molecular weight
- 204.69
Names & synonyms
2-Cyclohexylethyl chloroacetateNSC 6015NSC 6771ACETIC ACID, CHLORO-, 2-CYCLOHEXYLETHYL ESTERGVJ6F0Y92ONSC-6771UNII-GVJ6F0Y92ODTXSID60211897ACETIC ACID, 2-CHLORO-, 2-CYCLOHEXYLETHYL ESTERRefChem:86627DTXCID901343886280-64-4
Show more names
Chloroacetic acid 2-cyclohexylethyl ester
NSC-6015WLN: L6TJ AOV1G B2Acetic acid, 2-cyclohexylethyl esterNSC6015NSC6771
Database identifiers
- CAS
6280-64-4- PubChem CID
- 22678
- DTXSID
DTXSID60211897- UNII
- GVJ6F0Y92O
- Nikkaji
- J54.190G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 263.7 · 263.7±13.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- FDA UNII
- 6 F0Y92O · GVJ6F0Y92O
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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