Antineoplastic-525324
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Basic information
- Standard SMILES
CC(COc1ccc([As](=O)(O)O)cc1[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
DSWRFZMUXMIRJQ-UHFFFAOYSA-N- Molecular formula
- C9H11AsN2O9
- Average molar mass
- 366.11 g/mol
- Monoisotopic mass
- 365.968049
Names & identifiers
- Preferred name
- Antineoplastic-525324
- IUPAC
- [3-nitro-4-(2-nitrooxypropoxy)phenyl]arsonic acid
Names & synonyms
NSC525324ANTINEOPLASTIC-525324NSC-525324
Database identifiers
- PubChem CID
- 352198
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
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Related reactions
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Compound notes
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