Basic information
- CAS
67205-41-8- Standard SMILES
CCCCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N- InChIKey
WKBXPPHAFNUYTG-UHFFFAOYSA-N- Molecular formula
- C16H15Cl3N2O2
- Average molar mass
- 373.7 g/mol
- Monoisotopic mass
- 372.019911
Names & identifiers
- Preferred name
- 2,3,5-Trichloro-4,6-dicyanophenyl octanoate
- IUPAC
- (2,3,5-trichloro-4,6-dicyanophenyl) octanoate
Names & synonyms
67205-41-8NSC3164662,3,5-Trichloro-4,6-dicyanophenyl octanoateCHEMBL3248161DTXSID30317491NSC-316466
Database identifiers
- CAS
67205-41-8- PubChem CID
- 330171
- DTXSID
DTXSID30317491- ChEMBL
CHEMBL3248161
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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