Antineoplastic-12651
Basic information
- CAS
5410-59-3- Standard SMILES
O=[As](O)(O)c1cc(N=Nc2ccccc2)c(O)cc1O- InChIKey
BBAAWQCPUDFYDI-UHFFFAOYSA-N- Molecular formula
- C12H11AsN2O5
- Average molar mass
- 338.15 g/mol
- Monoisotopic mass
- 337.988391
Names & identifiers
- Preferred name
- Antineoplastic-12651
- IUPAC
- (2,4-dihydroxy-5-phenyldiazenylphenyl)arsonic acid
Names & synonyms
5410-59-3AC1NYGH3ANTINEOPLASTIC-12651NSC12651DTXSID80421077NSC-126512,4-dihydroxy-5-phenylazo-benzenearsonic acid[(3Z)-6-Hydroxy-4-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,5-dien-1-yl]arsonic acid
Database identifiers
- CAS
5410-59-3- PubChem CID
- 224280
- DTXSID
DTXSID80421077
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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