Basic information
- Standard SMILES
CC(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2C#N)cc(C(C)(C)C)c1O- InChIKey
XHGUWFNJJGCUAJ-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- 2,6-Di-t-butyl-4-(2'-cyano-4'-nitrophenyl)phenol
- IUPAC
- 2-(3,5-ditert-butyl-4-hydroxyphenyl)-5-nitrobenzonitrile
Names & synonyms
SCHEMBL10928662XHGUWFNJJGCUAJ-UHFFFAOYSA-N2,6-di-t-butyl-4-(2'-cyano-4'-nitrophenyl)phenol
Database identifiers
- PubChem CID
- 13458530
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
Loading…