Basic information
- CAS
78835-68-4- Standard SMILES
CC(NC(=O)C(N)Cc1ccc(Cl)cc1)P(=O)(O)O- InChIKey
XHHSVVUFJDHYEP-UHFFFAOYSA-N- Molecular formula
- C11H16ClN2O4P
- Average molar mass
- 306.68 g/mol
- Monoisotopic mass
- 306.0536217
Names & identifiers
- Preferred name
- 1-[[2-Amino-3-(4-chlorophenyl)propanoyl]amino]ethylphosphonic acid
- IUPAC
- 1-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]ethylphosphonic acid
Names & synonyms
78835-68-41-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]ethylphosphonic acidNSC361049DTXSID00320538NSC-3610494-Chloro-N-(1-phosphonoethyl)phenylalaninamide
Database identifiers
- CAS
78835-68-4- PubChem CID
- 338447
- DTXSID
DTXSID00320538
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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