| CAS Number | 254754-76-2 |
| Catalog Number | AG01F9MV(AGN-PC-03ZTH2) |
| Chemical Name | Diethyl-(2-nitro-4-trifluoromethyl-phenyl)-amine |
| IUPAC Name | N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C11H13F3N2O2/c1-3-15(4-2)9-6-5-8(11(12,13)14)7-10(9)16(17)18/h5-7H,3-4H2,1-2H3 |
| InChI Key | YCRLQFGZAVITNT-UHFFFAOYSA-N |
| MDL Number | MFCD16172102 |
| Molecular Formula | C11H13F3N2O2 |
| Molecular Weight | 262.2283 |
| SMILES | CCN(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)CC |
| Synonyms | 254754-76-2,
Diethyl-(2-nitro-4-trifluoromethyl-phenyl)-amine,
N,N-diethyl-2-nitro-4-(trifluoromethyl)Benzenamine,
SCHEMBL3484862,
DTXSID60631016,
YCRLQFGZAVITNT-UHFFFAOYSA-N,
ZINC45929495,
AKOS016358521,
MCULE-7107303302,
N,N-Diethyl-2-nitro-4-(trifluoromethyl)aniline,
1-diethylamino-2-nitro-4-(trifluoromethyl)benzene,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.232g/mol |
| Monoisotopic Mass | 262.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number