| CAS Number | 70339-08-1 |
| Catalog Number | AG00FGYS(AGN-PC-0WOJ07) |
| Chemical Name | N-Isopropyl-4-nitro-2-(trifluoromethyl)aniline |
| IUPAC Name | 4-nitro-N-propan-2-yl-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H11F3N2O2/c1-6(2)14-9-4-3-7(15(16)17)5-8(9)10(11,12)13/h3-6,14H,1-2H3 |
| InChI Key | MDYMVCKIVPOBCK-UHFFFAOYSA-N |
| MDL Number | MFCD12832984 |
| Molecular Formula | C10H11F3N2O2 |
| Molecular Weight | 248.2017 |
| SMILES | CC(Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-])C |
| Synonyms | N-Isopropyl-4-nitro-2-(trifluoromethyl)aniline,
70339-08-1,
SCHEMBL11562920,
MDYMVCKIVPOBCK-UHFFFAOYSA-N,
ZINC37754774,
AKOS005935799,
V7388,
N-isopropyl-4-nitro-2-(trifluoromethyl)benzenamine,
C10H11F3N2O2,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.205g/mol |
| Monoisotopic Mass | 248.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number