Basic information
- CAS
161959-27-9- Standard SMILES
O=[N+]([O-])c1cc(O)c(O)cc1O- InChIKey
OXNDPOQEDXDTRR-UHFFFAOYSA-N- Molecular formula
- C6H5NO5
- Average molar mass
- 171.11 g/mol
Names & identifiers
- Preferred name
- 5-Nitrobenzene-1,2,4-triol
- IUPAC
- 5-nitrobenzene-1,2,4-triol
- English name
- 1,2,4-Benzenetriol, 5-nitro-
- Molecular formula
- C6H5NO5
- Molecular weight
- 0
Names & synonyms
SCHEMBL10575433AKOS0063093461,2,4-Benzenetriol, 5-nitro-
Database identifiers
- CAS
161959-27-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…