phenol, 2-amino-3,5-dinitro-, monosodium salt
Basic information
- CAS
63589-13-9- Standard SMILES
Nc1c([O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].[Na+]- InChIKey
YFMOBPUFFQQGTM-UHFFFAOYSA-M- Molecular formula
- C6H4N3NaO5
- Average molar mass
- 221.1 g/mol
- Monoisotopic mass
- 221.00486452
Names & identifiers
- Preferred name
- phenol, 2-amino-3,5-dinitro-, monosodium salt
- IUPAC
- sodium 2-amino-3,5-dinitrophenolate
Names & synonyms
Phenol, 2-amino-3,5-dinitro-, monosodium saltDTXSID2069943RefChem:369005DTXCID404398763589-13-9sodium 2-amino-3,5-dinitrophenolatePhenol, 2-amino-3,5-dinitro-, sodium salt (1:1)DB-221846
Database identifiers
- CAS
63589-13-9- PubChem CID
- 5485979
- DTXSID
DTXSID2069943
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-amino-3,5-dinitro-, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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