Basic information
- CAS
5425-21-8- Standard SMILES
NC(=O)CNC(=O)c1ccc([As](O)O)cc1- InChIKey
NQUCHECDAZPBRY-UHFFFAOYSA-N- Molecular formula
- C9H11AsN2O4
- Average molar mass
- 286.12 g/mol
- Monoisotopic mass
- 285.993476
Names & identifiers
- Preferred name
- Antineoplastic-12728
- IUPAC
- [4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]arsonous acid
Names & synonyms
5425-21-8ANTINEOPLASTIC-12728NSC12728DTXSID80969247NSC-12728[4-(Dihydroxyarsanyl)benzamido]ethanimidic acid2-[4-(Dihydroxyarsanyl)benzamido]ethanimidic acid
Database identifiers
- CAS
5425-21-8- PubChem CID
- 224347
- DTXSID
DTXSID80969247
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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