Basic information
- Standard SMILES
CCCCOC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc(Cl)cc1- InChIKey
MDJBUNRPRAVHGO-LPOBJOOYSA-N- Molecular formula
- C13H18Cl2NO4P
- Average molar mass
- 354.16 g/mol
- Monoisotopic mass
- 353.0350504
Names & identifiers
- Preferred name
- n-Butyl N-[chloro(4-chlorophenoxy)phosphoryl]-L-alaninate
- IUPAC
- butyl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
Names & synonyms
SCHEMBL1274001MDJBUNRPRAVHGO-LPOBJOOYSA-Nn-Butyl N-[chloro(4-chlorophenoxy)phosphoryl]-L-alaninate
Database identifiers
- PubChem CID
- 59157902
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
Loading…