Nonyl 4-chlorobutanoate
Basic information
- CAS
88395-92-0- Standard SMILES
CCCCCCCCCOC(=O)CCCCl- InChIKey
JOHFUSYZUPEZNG-UHFFFAOYSA-N- Molecular formula
- C13H25ClO2
- Average molar mass
- 248.79 g/mol
- Monoisotopic mass
- 248.1543077
Names & identifiers
- Preferred name
- Nonyl 4-chlorobutanoate
- IUPAC
- nonyl 4-chlorobutanoate
Names & synonyms
Nonyl 4-chlorobutanoate88395-92-0DTXSID90335873RefChem:365887DTXCID40286962JOHFUSYZUPEZNG-UHFFFAOYSA-NSCHEMBL21811756Butanoic acid, 4-chloro, nonyl ester
Database identifiers
- CAS
88395-92-0- PubChem CID
- 527652
- DTXSID
DTXSID90335873
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
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Related reactions
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Compound notes
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