Basic information
- CAS
93272-50-5- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
BRQUJCBURTYHLB-UHFFFAOYSA-N- Molecular formula
- C16H16N4O5
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.11206962
Names & identifiers
- Preferred name
- 2-[4-Hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione
- IUPAC
- 2-[4-hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione
Names & synonyms
93272-50-5NSC 358266NSC3582662-[4-hydroxy-5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dioneDTXSID70320348NSC-3582662-[4-Hydroxy-5-(2-nitro-1H-imidazol-1-yl)pentyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
93272-50-5- PubChem CID
- 337952
- DTXSID
DTXSID70320348
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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