2-Nitro[1,1'-biphenyl]-3,4-diol
Basic information
- CAS
116211-97-3- Standard SMILES
O=[N+]([O-])c1c(-c2ccccc2)ccc(O)c1O- InChIKey
PLCKOSJSJGARDZ-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 2-Nitro[1,1'-biphenyl]-3,4-diol
- IUPAC
- 3-nitro-4-phenylbenzene-1,2-diol
Names & synonyms
2-Nitro[1,1'-biphenyl]-3,4-diolSCHEMBL7435964DTXSID10921974116211-97-3
Database identifiers
- CAS
116211-97-3- PubChem CID
- 44154685
- DTXSID
DTXSID10921974
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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