Misonidazole,4,5-dibromo
Basic information
- Standard SMILES
COCC(O)Cn1c([N+](=O)[O-])nc(Br)c1Br- InChIKey
KGARYZDKICTJGI-UHFFFAOYSA-N- Molecular formula
- C7H9Br2N3O4
- Average molar mass
- 358.97 g/mol
- Monoisotopic mass
- 356.89598
Names & identifiers
- Preferred name
- Misonidazole,4,5-dibromo
- IUPAC
- 1-(4,5-dibromo-2-nitroimidazol-1-yl)-3-methoxypropan-2-ol
Names & synonyms
NSC343746DTXSID50875720MISONIDAZOLE,4,5-DIBROMONSC-3437461-(4,5-Dibromo-2-nitro-1H-imidazol-1-yl)-3-methoxypropan-2-ol
Database identifiers
- PubChem CID
- 335279
- DTXSID
DTXSID50875720
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
LogP1.02
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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