Basic information
- Standard SMILES
O=[N+]([O-])c1cnn(S(=O)(=O)c2ccccc2)c1- InChIKey
QDZOTELENUNRIN-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4S
- Average molar mass
- 253.24 g/mol
- Monoisotopic mass
- 253.01572689
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-4-nitropyrazole
- IUPAC
- 1-(benzenesulfonyl)-4-nitropyrazole
Names & synonyms
1-(benzenesulfonyl)-4-nitropyrazole4-nitro-1-(phenylsulfonyl)-1H-pyrazole121358-77-8SCHEMBL1939811QDZOTELENUNRIN-UHFFFAOYSA-NNSC829743NSC-829743DA-39050AE-420/30070015
Database identifiers
- PubChem CID
- 825281
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
2 records
Compound notes
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