Basic information
- Standard SMILES
CCC(C)(C)c1ccc(Oc2ccncc2[N+](=O)[O-])c(C(C)(C)CC)c1- InChIKey
QVHQRFOFNRULQO-UHFFFAOYSA-N- Molecular formula
- C21H28N2O3
- Average molar mass
- 356.5 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-pyridine
- IUPAC
- 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-nitropyridine
Names & synonyms
SCHEMBL9499832QVHQRFOFNRULQO-UHFFFAOYSA-N3-nitro-4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-pyridine
Database identifiers
- PubChem CID
- 19788232
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
4 records
Compound notes
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