Propanoic acid, 2-chloro-, pentyl ester
Basic information
- CAS
86711-71-9- Standard SMILES
CCCCCOC(=O)C(C)Cl- InChIKey
ASYLXRAVZWKEBQ-UHFFFAOYSA-N- Molecular formula
- C8H15ClO2
- Average molar mass
- 178.65 g/mol
- Monoisotopic mass
- 178.0760574
Names & identifiers
- Preferred name
- Propanoic acid, 2-chloro-, pentyl ester
- IUPAC
- pentyl 2-chloropropanoate
Names & synonyms
Propanoic acid, 2-chloro-, pentyl ester86711-71-9Propionic acid, 2-chloro-, pentyl esterDTXSID60335087RefChem:374730DTXCID10286176ASYLXRAVZWKEBQ-UHFFFAOYSA-NPentyl 2-chloropropanoatePentyl 2-chloropropanoate #SCHEMBL7625792SCHEMBL8970879
Database identifiers
- CAS
86711-71-9- PubChem CID
- 522861
- DTXSID
DTXSID60335087
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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