5-Nitroquinoline-8-sulfonic acid
Basic information
- CAS
854694-82-9- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)O)c2ncccc12- InChIKey
OTHUYKYSKHOXKZ-UHFFFAOYSA-N- Molecular formula
- C9H6N2O5S
- Average molar mass
- 254.22 g/mol
- Monoisotopic mass
- 253.99974247
Names & identifiers
- Preferred name
- 5-Nitroquinoline-8-sulfonic acid
- IUPAC
- 5-nitroquinoline-8-sulfonic acid
- English name
- 8-Quinolinesulfonic acid, 5-nitro-
- Molecular formula
- C9H6N2O5S
- Molecular weight
- 0
Names & synonyms
5-Nitroquinoline-8-sulfonic acid854694-82-95-nitro-8-quinolinesulfonic acid8-Quinolinesulfonic acid, 5-nitro-DTXSID906481725-nitro-quinoline-8-sulfonic acidDB-325664
Database identifiers
- CAS
854694-82-9- PubChem CID
- 24973503
- DTXSID
DTXSID90648172
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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