| CAS Number | 142596-55-2 |
| Catalog Number | AG00A9PO(AGN-PC-09TBOF) |
| Chemical Name | 1-tert-Butoxy-4-methyl-2-nitrobenzene |
| IUPAC Name | 4-methyl-1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene |
| InChI | InChI=1S/C11H15NO3/c1-8-5-6-10(15-11(2,3)4)9(7-8)12(13)14/h5-7H,1-4H3 |
| InChI Key | YFDINFAXPXAYFW-UHFFFAOYSA-N |
| MDL Number | MFCD09909349 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | Cc1ccc(c(c1)[N+](=O)[O-])OC(C)(C)C |
| Synonyms | 1-TERT-BUTOXY-4-METHYL-2-NITROBENZENE,
142596-55-2,
1-(tert-Butoxy)-4-methyl-2-nitrobenzene,
SCHEMBL15858815,
CTK8G9447,
DTXSID00702577,
MFCD09909349,
ZINC96347804,
tert-Butyl(2-nitro-4-methylphenyl) ether,
4-methyl-1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number