Basic information
- Standard SMILES
COc1cc(CO)c(O)c(N=Nc2ccc(F)cc2[N+](=O)[O-])c1- InChIKey
FJUGUOWVVVTZMP-UHFFFAOYSA-N- Molecular formula
- C14H12FN3O5
- Average molar mass
- 321.26 g/mol
- Monoisotopic mass
- 321.07609865
Names & identifiers
- Preferred name
- 2-((4-Fluoro-2-nitrophenyl)diazenyl)-6-(hydroxymethyl)-4-methoxyphenol
- IUPAC
- 2-[(4-fluoro-2-nitrophenyl)diazenyl]-6-(hydroxymethyl)-4-methoxyphenol
Names & synonyms
SCHEMBL1100822SCHEMBL1100825FJUGUOWVVVTZMP-UHFFFAOYSA-N2-((4-fluoro-2-nitrophenyl)diazenyl)-6-(hydroxymethyl)-4-methoxyphenol
Database identifiers
- PubChem CID
- 136348307
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
5 records
Compound notes
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