Basic information
- CAS
112368-26-0- Standard SMILES
NC(=O)CCC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1- InChIKey
LTAGXTKEMXIGSY-UHFFFAOYSA-N- Molecular formula
- C10H9Cl3N2O2
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 293.972961
Names & identifiers
- Preferred name
- N~1~-(3,4,5-Trichlorophenyl)butanediamide
- IUPAC
- N'-(3,4,5-trichlorophenyl)butanediamide
Names & synonyms
DTXSID30150007N~1~-(3,4,5-Trichlorophenyl)butanediamide
Database identifiers
- CAS
112368-26-0- PubChem CID
- 154175
- DTXSID
DTXSID30150007
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…