Basic information
- CAS
5887-84-3- Standard SMILES
CC(=O)NC(CCC(=O)c1ccc(Cl)cc1Cl)C(=O)O- InChIKey
CCNMYHUCRQQMAN-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2NO4
- Average molar mass
- 318.15 g/mol
- Monoisotopic mass
- 317.0221633
Names & identifiers
- Preferred name
- 2-Acetamido-5-(2,4-dichlorophenyl)-5-oxopentanoic acid
- IUPAC
- 2-acetamido-5-(2,4-dichlorophenyl)-5-oxopentanoic acid
Names & synonyms
2-acetamido-5-(2,4-dichlorophenyl)-5-oxopentanoic acid5887-84-3NSC40218DTXSID80285010NSC-40218
Database identifiers
- CAS
5887-84-3- PubChem CID
- 237017
- DTXSID
DTXSID80285010
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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