| CAS Number | 83747-12-0 |
| Catalog Number | AG004X14(AGN-PC-0NE698) |
| Chemical Name | 1-(tert-Butoxy)-2-nitrobenzene |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)14-9-7-5-4-6-8(9)11(12)13/h4-7H,1-3H3 |
| InChI Key | FKHYLJDIYZVNQU-UHFFFAOYSA-N |
| MDL Number | MFCD09909350 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | [O-][N+](=O)c1ccccc1OC(C)(C)C |
| Synonyms | 1-(tert-Butoxy)-2-nitrobenzene,
83747-12-0,
Benzene, 1-(1,1-dimethylethoxy)-2-nitro-,
1-tert-butoxy-2-nitrobenzene,
t-butoxynitrobenzene,
1-Nitro-2-tert-butoxybenzene,
SCHEMBL1554822,
CTK3D1346,
DTXSID20451257,
FKHYLJDIYZVNQU-UHFFFAOYSA-N,
ZINC34597015,
AKOS006314301,
FT-0720303,
CID10997909,
1-[(2-methylpropan-2-yl)oxy]-2-nitro-benzene,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number