Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@](C)(O)Cn2cc([N+](=O)[O-])nc2Cl)cc1- InChIKey
SOZJAHFDBDNZRH-CQSZACIVSA-N- Molecular formula
- C14H16ClN3O6S
- Average molar mass
- 389.8 g/mol
Names & identifiers
- Preferred name
- (R)-2-chloro-1-[2-hydroxy-2-methyl-3-(4-methylbenzenesulfonyloxy)propyl]-4-nitroimidazole
- IUPAC
- [(2R)-3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL5539492SOZJAHFDBDNZRH-CQSZACIVSA-N(R)-2-chloro-1-[2-hydroxy-2-methyl-3-(4-methylbenzenesulfonyloxy)propyl]-4-nitroimidazole
Database identifiers
- PubChem CID
- 86604802
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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