Basic information
- CAS
5234-35-5- Standard SMILES
Cn1cnc(S(=O)(=O)c2ccccc2)c1[N+](=O)[O-]- InChIKey
SQSVABDEGMJDOC-UHFFFAOYSA-N- Molecular formula
- C10H9N3O4S
- Average molar mass
- 267.26 g/mol
- Monoisotopic mass
- 267.03137695
Names & identifiers
- Preferred name
- 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole
- IUPAC
- 4-(benzenesulfonyl)-1-methyl-5-nitroimidazole
Names & synonyms
5234-35-5NSC32615385044-77-54-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazoleDTXSID70966725NSC-326153
Database identifiers
- CAS
5234-35-5、85044-77-5- PubChem CID
- 433247
- DTXSID
DTXSID70966725
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
- 18
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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