Basic information
- CAS
72766-18-8- Standard SMILES
Cc1nc2c([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])cc2[nH]1- InChIKey
JUEPUCRJOBVTTK-UHFFFAOYSA-N- Molecular formula
- C10H11N5O5
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.07601847
Names & identifiers
- Preferred name
- Ethanol, 2-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-
- IUPAC
- 2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
Names & synonyms
BRN 093370972766-18-8Ethanol, 2-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-2-((2-Methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)ethanolDTXSID50223080NSC 291076RefChem:340769DTXCID50145571NSC291076NSC-2910762-[(2-Methyl-4,6-dinitro-1H-1,3-benzimidazol-5-yl)amino]ethan-1-ol
Database identifiers
- CAS
72766-18-8- PubChem CID
- 3979168
- DTXSID
DTXSID50223080
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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