| CAS Number | 2715-01-7 |
| Catalog Number | AG01CB4T(AGN-PC-0KL2EO) |
| Chemical Name | 2-nitro-N-phenyl-4-(trifluoromethyl)aniline |
| IUPAC Name | 2-nitro-N-phenyl-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C13H9F3N2O2/c14-13(15,16)9-6-7-11(12(8-9)18(19)20)17-10-4-2-1-3-5-10/h1-8,17H |
| InChI Key | ZIVVNRWRRMVFLI-UHFFFAOYSA-N |
| MDL Number | MFCD00623597 |
| Molecular Formula | C13H9F3N2O2 |
| Molecular Weight | 282.218 |
| SMILES | FC(F)(F)C2(=CC([N+](=O)[O-])=C(NC1(=CC=CC=C1))C=C2) |
| Synonyms | 2-nitro-N-phenyl-4-(trifluoromethyl)aniline,
2715-01-7,
AC1MD4Q3,
SCHEMBL13811262,
DTXSID30382664,
ZINC3921165,
AKOS000286039,
MCULE-3180040518,
MS-1579,
KS-00002801,
ZINC03921165,
CID2783540,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.222g/mol |
| Monoisotopic Mass | 282.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number