Basic information
- CAS
80479-63-6- Standard SMILES
O=[N+]([O-])c1nccn1CCC(O)CO- InChIKey
AXLKWXCLDLSLIQ-UHFFFAOYSA-N- Molecular formula
- C7H11N3O4
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.07495584
Names & identifiers
- Preferred name
- 4-(2-Nitroimidazol-1-yl)butane-1,2-diol
- IUPAC
- 4-(2-nitroimidazol-1-yl)butane-1,2-diol
Names & synonyms
4-(2-nitroimidazol-1-yl)butane-1,2-diol80479-63-64-(2-Nitro-1H-imidazol-1-yl)butane-1,2-diolNSC307258DTXSID00878968DTXSID70316842NSC-3072582NITROIMIDAZOLE134DIHYDROXYBUTYLDS-014480
Database identifiers
- CAS
80479-63-6- PubChem CID
- 328575
- DTXSID
DTXSID70316842
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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