4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
Basic information
- CAS
80348-58-9- Standard SMILES
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
LMVSSAINZSFVBL-UHFFFAOYSA-N- Molecular formula
- C10H8N4O7S
- Average molar mass
- 328.26 g/mol
- Monoisotopic mass
- 328.01136978
Names & identifiers
- Preferred name
- 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
- IUPAC
- (4-nitrophenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Names & synonyms
80348-58-9NSC3261564-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonateDTXSID50318107NSC-326156
Database identifiers
- CAS
80348-58-9- PubChem CID
- 331695
- DTXSID
DTXSID50318107
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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