Basic information
- CAS
93720-37-7- Standard SMILES
CC(C)(C)c1ccc([N+](=O)[O-])c(C(C)(C)C)c1- InChIKey
JNNREOROJIQYSA-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2,4-Ditert-butyl-1-nitrobenzene
- IUPAC
- 2,4-ditert-butyl-1-nitrobenzene
- English name
- 2,4-ditert-butyl-1-nitrobenzene
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32204
Names & synonyms
2,4-Ditert-butyl-1-nitrobenzene93720-37-7DTXSID20346578RefChem:246726DTXCID002976502,4-DI-TERT-BUTYL-1-NITROBENZENEBenzene, 2,4-bis(1,1-dimethylethyl)-1-nitro-Oprea1_826968SCHEMBL12384891SCHEMBL21708923JNNREOROJIQYSA-UHFFFAOYSA-N2,4-Ditert-butyl-1-nitrobenzene #
Show more names
MFCD01463866AKOS024263646SY360193AE-562/12222714
Database identifiers
- CAS
93720-37-7- PubChem CID
- 613362
- DTXSID
DTXSID20346578- Nikkaji
- J449.659K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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