Octyl 3-chloropropanoate
Basic information
- CAS
63505-50-0- Standard SMILES
CCCCCCCCOC(=O)CCCl- InChIKey
APSFWUHAPFXKHS-UHFFFAOYSA-N- Molecular formula
- C11H21ClO2
- Average molar mass
- 220.73 g/mol
- Monoisotopic mass
- 220.1230076
Names & identifiers
- Preferred name
- Octyl 3-chloropropanoate
- IUPAC
- octyl 3-chloropropanoate
Names & synonyms
Octyl 3-chloropropanoate63505-50-03-Chloropropionic acid, octyl esterDTXSID80334850Propanoic acid, 3-chloro, octyl esterRefChem:366921DTXCID80285939APSFWUHAPFXKHS-UHFFFAOYSA-NPropanoic acid, 3-chloro-, octyl esterOctyl 3-chloropropanoate #SCHEMBL11788847MFCD00204358
Show more names
DB-015670
Database identifiers
- CAS
63505-50-0- PubChem CID
- 522095
- DTXSID
DTXSID80334850
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
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Related reactions
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Compound notes
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