Basic information
- CAS
93272-45-8- Standard SMILES
O=C1c2ccccc2C(=O)N1CC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
YVGHIKCLSBTNSB-UHFFFAOYSA-N- Molecular formula
- C14H12N4O5
- Average molar mass
- 316.27 g/mol
- Monoisotopic mass
- 316.0807695
Names & identifiers
- Preferred name
- 1-(3-Phthalimido-2-hydroxy propyl)-2-nitroimidazole
- IUPAC
- 2-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione
Names & synonyms
1-(3-Phthalimido-2-hydroxy propyl)-2-nitroimidazole93272-45-8NSC355024SCHEMBL1614922DTXSID40320097YVGHIKCLSBTNSB-UHFFFAOYSA-NNSC-3550242-[2-hydroxy-3-(2-nitro-imidazol-1-yl)-propyl]-isoindole-1,3-dione2-[2-Hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
93272-45-8- PubChem CID
- 337334
- DTXSID
DTXSID40320097
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 484
Related reactions
7 records
Compound notes
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