2-Chloroethyl octanoate
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Basic information
- CAS
589-76-4- Standard SMILES
CCCCCCCC(=O)OCCCl- InChIKey
XBVCXCNGNQZCES-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.10735753
Names & identifiers
- Preferred name
- 2-Chloroethyl octanoate
- IUPAC
- 2-chloroethyl octanoate
Names & synonyms
2-chloroethyl octanoate589-76-4Octanoic acid, 2-chloroethyl ester2-chloroethyloctanoateSCHEMBL14760960DTXSID30281981NSC23733NSC-23733
Database identifiers
- CAS
589-76-4- PubChem CID
- 229780
- DTXSID
DTXSID30281981- Nikkaji
- J495.279K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
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Related reactions
1 records
Compound notes
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