2-Hydroxy-5-nitrobenzenesulfonic acid
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Basic information
- CAS
616-59-1- Standard SMILES
O=[N+]([O-])c1ccc(O)c(S(=O)(=O)O)c1- InChIKey
AFVVQKCFSIFDER-UHFFFAOYSA-N- Molecular formula
- C6H5NO6S
- Average molar mass
- 219.17 g/mol
- Monoisotopic mass
- 218.98375805
Names & identifiers
- Preferred name
- 2-Hydroxy-5-nitrobenzenesulfonic acid
- IUPAC
- 2-hydroxy-5-nitrobenzenesulfonic acid
- English name
- 2-hydroxy-5-nitrobenzenesulphonic acid
- Molecular formula
- C6H5NO6S
- Molecular weight
- 219.17
Names & synonyms
2-hydroxy-5-nitrobenzenesulfonic acid2-Hydroxy-5-nitrobenzenesulphonic acidXS2FJ5BFL5DTXSID00210602NSC-79863Benzenesulfonic acid, 2-hydroxy-5-nitro-BENZENESULPHONIC ACID, 2-HYDROXY-5-NITRO-RefChem:87447DTXCID90133093616-59-1EINECS 210-486-82-hydroxy-5-nitrobenzene-1-sulfonic acid
Show more names
UNII-XS2FJ5BFL5SCHEMBL5446804SCHEMBL9621749SCHEMBL29761998hydroxy-5-nitrobenzenesulfonic acidNS00034757
Database identifiers
- CAS
616-59-1- PubChem CID
- 69225
- DTXSID
DTXSID00210602- UNII
- XS2FJ5BFL5
- EC Number
- 210-486-8
- Nikkaji
- J297.793A、J3.308.345I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- FDA UNII
- 2 FJ5BFL5 · XS2FJ5BFL5
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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