Basic information
- CAS
35040-03-0- Standard SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-].[Na+]- InChIKey
LRWSMDCIWRLZIX-UHFFFAOYSA-M- Molecular formula
- C10H11N2NaO5
- Average molar mass
- 262.19 g/mol
- Monoisotopic mass
- 262.05656574
Overview
See also: Dinoseb sodium salt (annotation moved to).
Names & identifiers
- Preferred name
- Dinoseb-sodium
- IUPAC
- sodium 2-butan-2-yl-4,6-dinitrophenolate
Names & synonyms
Dinoseb-sodiumDinoseb-sodium [ISO]BJV8LW6R9KSodium 2-(1-methylpropyl)-4,6-dinitrophenolateUNII-BJV8LW6R9KEINECS 252-331-7Dinoseb, sodium saltSCHEMBL5933864DTXSID9058365Phenol, 2-(1-methylpropyl)-4,6-dinitro-, sodium saltSCHEMBL30195966NS00087827
Show more names
Sodium 2-(butan-2-yl)-4,6-dinitrophenolateQ27274712
Database identifiers
- CAS
35040-03-0- PubChem CID
- 3045288
- DTXSID
DTXSID9058365- UNII
- BJV8LW6R9K
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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