Sodium 5-nitro-2-phenoxybenzenesulfonic acid
Basic information
- CAS
7327-90-4- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2)c(S(=O)(=O)O)c1.[Na+]- InChIKey
LYUYWTVHWUGQOZ-UHFFFAOYSA-N- Molecular formula
- C12H9NNaO6S+
- Average molar mass
- 318.26 g/mol
- Monoisotopic mass
- 318.00482746
Names & identifiers
- Preferred name
- Sodium 5-nitro-2-phenoxybenzenesulfonic acid
- IUPAC
- sodium 5-nitro-2-phenoxybenzenesulfonic acid
- English name
- 5-Nitro-2-phenoxybenzenesulfonic acid, sodium salt
- Molecular formula
- C12H8NNaO6S
- Molecular weight
- 317.24979
Names & synonyms
7327-90-4DTXSID90712483NSC158044NSC-158044sodium;5-nitro-2-phenoxybenzenesulfonic acid2-Sulfo-4-nitrophenyl phenyl ether sodium salt5-Nitro-2-phenoxybenzenesulfonic acid, sodium salt
Database identifiers
- CAS
7327-90-4- PubChem CID
- 54598517
- DTXSID
DTXSID90712483
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 445
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Compound notes
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