12-Chlorododecanoic acid, chloromethyl ester
Basic information
- CAS
80419-08-5- Standard SMILES
O=C(CCCCCCCCCCCCl)OCCl- InChIKey
RHQDLXULLWJVQL-UHFFFAOYSA-N- Molecular formula
- C13H24Cl2O2
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 282.1153354
Names & identifiers
- Preferred name
- 12-Chlorododecanoic acid, chloromethyl ester
- IUPAC
- chloromethyl 12-chlorododecanoate
Names & synonyms
12-Chlorododecanoic acid, chloromethyl ester80419-08-5DTXSID80423930RefChem:236386DTXCID50374768RHQDLXULLWJVQL-UHFFFAOYSA-Nchloromethyl 12-chlorododecanoate
Database identifiers
- CAS
80419-08-5- PubChem CID
- 6429601
- DTXSID
DTXSID80423930
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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