Basic information
- CAS
85044-75-3- Standard SMILES
Cn1cnc(S(=O)(=O)Oc2ccccc2)c1[N+](=O)[O-]- InChIKey
ZLEOWFPSDNEIPV-UHFFFAOYSA-N- Molecular formula
- C10H9N3O5S
- Average molar mass
- 283.26 g/mol
- Monoisotopic mass
- 283.02629157
Names & identifiers
- Preferred name
- Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate
- IUPAC
- phenyl 1-methyl-5-nitroimidazole-4-sulfonate
Names & synonyms
85044-75-3NSC329114Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonateDTXSID30318342NSC-329114
Database identifiers
- CAS
85044-75-3- PubChem CID
- 332385
- DTXSID
DTXSID30318342
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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