Basic information
- CAS
22457-33-6- Standard SMILES
COC(=O)CCCCCCCCCl- InChIKey
CNHNEOUVKMPEBI-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.1073575
Names & identifiers
- Preferred name
- Methyl 9-chlorononanoate
- IUPAC
- methyl 9-chlorononanoate
Names & synonyms
methyl 9-chlorononanoate22457-33-69-Chlorononanoic acid, methyl esterstarbld0041325SCHEMBL1363303DTXSID40336214CNHNEOUVKMPEBI-UHFFFAOYSA-NNonanoic acid, 9-chloro, methyl ester
Database identifiers
- CAS
22457-33-6- PubChem CID
- 529985
- DTXSID
DTXSID40336214
Properties
Computed structural properties
- XLogP
- 3.3
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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