Basic information
- CAS
67205-61-2- Standard SMILES
CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl- InChIKey
ZESURNSFEWJIMR-UHFFFAOYSA-N- Molecular formula
- C19H23Cl4NO2
- Average molar mass
- 439.2 g/mol
- Monoisotopic mass
- 437.04829
Names & identifiers
- Preferred name
- Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
- IUPAC
- (2,3,5,6-tetrachloro-4-cyanophenyl) dodecanoate
Names & synonyms
67205-61-2Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl esterBRN 26041294-Cyano-2,3,5,6-tetrachlorophenyl dodecanoateDTXSID60217511NSC 316468RefChem:339478DTXCID10140002NSC316468CHEMBL3248195NSC-3164682,3,5,6-TETRACHLORO-4-CYANOPHENYL DODECANOATE
Database identifiers
- CAS
67205-61-2- PubChem CID
- 100540
- DTXSID
DTXSID60217511- ChEMBL
CHEMBL3248195
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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