5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene
Basic information
- CAS
133933-39-8- Standard SMILES
O=[N+]([O-])c1nccn1CC(O)C/C=C/I- InChIKey
AMKWMUJLUNEXPP-RMKMGNDCSA-N- Molecular formula
- C8H10IN3O3
- Average molar mass
- 323.09 g/mol
- Monoisotopic mass
- 322.97669
Overview
RN & structure given in first source; RN given refers to unlabeled cpd
Names & identifiers
- Preferred name
- 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene
- IUPAC
- (E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
- English name
- 5-(2-nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene
- Molecular formula
- C8H10IN3O3
- Molecular weight
- 323.09
Names & synonyms
Iodovinylmisonidazole5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene133933-39-85-IVMRefChem:101628(E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol1H-Imidazole-1-ethanol, alpha-(3-iodo-2-propenyl)-2-nitro-, (S-(E))-(iodovinyl)misonidazole
Database identifiers
- CAS
133933-39-8- PubChem CID
- 6438656
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
LogP0.4
Physicochemical properties
- Boiling point
- 468.77 · 468.770±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.915 · 1.915±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.603 · 13.603±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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