Basic information
- CAS
52320-85-1- Standard SMILES
O=NN(CCCl)C(=O)NC(CCC(=O)O)C(=O)O- InChIKey
AJQMCEMSWCGRRN-UHFFFAOYSA-N- Molecular formula
- C8H12ClN3O6
- Average molar mass
- 281.65 g/mol
- Monoisotopic mass
- 281.0414628
Names & identifiers
- Preferred name
- Clet-nitrosoureidoglutaric acid
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]pentanedioic acid
Names & synonyms
DTXSID50875745RefChem:334255DTXCID701013865CLET-NITROSOUREIDOGLUTARIC ACID52320-85-1NSC-163478NSC163478CHEMBL417796
Database identifiers
- CAS
52320-85-1- PubChem CID
- 424337
- ChEMBL
CHEMBL417796- Nikkaji
- J75.648B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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