| CAS Number | 1352318-51-4 |
| Catalog Number | AG006ZAH(AGN-PC-0WRAFR) |
| Chemical Name | N-tert-Butyl-4-nitro-2-(trifluoromethoxy)aniline |
| IUPAC Name | N-tert-butyl-4-nitro-2-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C11H13F3N2O3/c1-10(2,3)15-8-5-4-7(16(17)18)6-9(8)19-11(12,13)14/h4-6,15H,1-3H3 |
| InChI Key | DJNGJEYVRZPVIX-UHFFFAOYSA-N |
| MDL Number | MFCD20491423 |
| Molecular Formula | C11H13F3N2O3 |
| Molecular Weight | 278.2277 |
| SMILES | [O-][N+](=O)c1ccc(c(c1)OC(F)(F)F)NC(C)(C)C |
| Synonyms | N-tert-Butyl-4-nitro-2-(trifluoromethoxy)aniline,
1352318-51-4,
N-(tert-Butyl)-4-nitro-2-(trifluoromethoxy)aniline,
ACMC-209bzd,
CTK8B0319,
DTXSID30718328,
C11H13F3N2O3,
ANW-19799,
MFCD20491423,
ZINC74937739,
AKOS025294373,
TC-108544,
Z9883,
B-8788,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.231g/mol |
| Monoisotopic Mass | 278.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number