Basic information
- CAS
6973-85-9- Standard SMILES
O=[N+]([O-])c1ccc([As](=O)(O)c2ccc(O)c([N+](=O)[O-])c2)cc1- InChIKey
ZGYIRYLJMMLKKH-UHFFFAOYSA-N- Molecular formula
- C12H9AsN2O7
- Average molar mass
- 368.13 g/mol
- Monoisotopic mass
- 367.96257
Names & identifiers
- Preferred name
- (4-Hydroxy-3-nitrophenyl)(4-nitrophenyl)arsinic acid
- IUPAC
- (4-hydroxy-3-nitrophenyl)-(4-nitrophenyl)arsinic acid
Names & synonyms
6973-85-9(4-hydroxy-3-nitrophenyl)(4-nitrophenyl)arsinic acidNSC41371ANTINEOPLASTIC-41371DTXSID50989896NSC-41371
Database identifiers
- CAS
6973-85-9- PubChem CID
- 237668
- DTXSID
DTXSID50989896
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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