1-Nitro-4-tert-butyl-2,6-dimethylbenzene
5-tert-butyl-1,3-dimethyl-2-nitrobenzene
Also Known As: 5-(tert-butyl)-1,3-dimethyl-2-nitrobenzene|5-tert-butyl-1,3-dimethyl-2-nitrobenzene|Maybridge1_006107|1-nitro-4-tert-butyl-2,6-dimethylbenzene|2-Ethyl-6-isopropylaniline|4-tert-butyl-2,6-dimethylnitrobenzene|5-tert-Butyl-2-nitro-m-xylene|5-tert-Butyl-1,3-dimethyl-2-nitro-benzene|HMS558N13|CCG-1361|AS-6261|1-nitro4-tert-butyl-2,6-dimethylbenzene|1,3-Dimethyl-2-nitro-5-tert-butylbenzene|2-nitro-1,3-dimethyl-5-tertiarybutylbenzene|2-nitro-1,3-dimethyl-5-tertiary-butylbenzene|J1.394.936K|2-nitro-1,3-dimethyl-5-tertiary-butyl-benzene|Benzene,5-(1,1-dimethylethyl)-1,3-dimethyl-2-nitro-
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.12593 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.12593 |
| Monoisotopic Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 68675-73-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)C(C)(C)C |
| InChIKey | NZAWLDGUWOQFQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-tert-butyl-2,6-dimethylbenzene (CAS 68675-73-0), with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol. IUPAC: 5-tert-butyl-1,3-dimethyl-2-nitrobenzene.