Basic information
- CAS
129661-59-2- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=Nc1ccc(O)cc1- InChIKey
JYMLHWOHOSLLAE-UHFFFAOYSA-N- Molecular formula
- C11H10N4O3
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.07529019
Names & identifiers
- Preferred name
- 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol
- IUPAC
- 4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]phenol
Names & synonyms
4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)phenol129661-59-2
Database identifiers
- CAS
129661-59-2- PubChem CID
- 148152
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…