Basic information
- CAS
72766-16-6- Standard SMILES
Cc1nc2c([N+](=O)[O-])c(N3CCOCC3)c([N+](=O)[O-])cc2[nH]1- InChIKey
JRHAKKPANBHALP-UHFFFAOYSA-N- Molecular formula
- C12H13N5O5
- Average molar mass
- 307.26 g/mol
- Monoisotopic mass
- 307.09166853
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-morpholinyl)-
- IUPAC
- 4-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)morpholine
Names & synonyms
72766-16-61H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-morpholinyl)-BRN 11681684,6-Dinitro-2-methyl-5-(4-morpholinyl)-1H-benzimidazoleDTXSID80223078NSC 291074RefChem:237531DTXCID80145569NSC291074NSC-2910742-Methyl-5-(morpholin-4-yl)-4,6-dinitro-1H-1,3-benzimidazole
Database identifiers
- CAS
72766-16-6- PubChem CID
- 100347
- DTXSID
DTXSID80223078
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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