Basic information
- CAS
79565-10-9- Standard SMILES
CCCCCCC(=O)NCCCCCCCCCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
BZQBQRKVEJQCBZ-UHFFFAOYSA-N- Molecular formula
- C24H36Cl3NO3
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 491.176077
Names & identifiers
- Preferred name
- 2,4,5-Trichlorophenyl 11-(heptanoylamino)undecanoate
- IUPAC
- (2,4,5-trichlorophenyl) 11-(heptanoylamino)undecanoate
Names & synonyms
79565-10-92,4,5-Trichlorophenyl 11-(heptanoylamino)undecanoateDTXSID608237772,4,5-TRICHLOROPHENYL 11-HEPTANAMIDOUNDECANOATE
Database identifiers
- CAS
79565-10-9- PubChem CID
- 71402829
- DTXSID
DTXSID60823777
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…