| CAS Number | 1179935-12-6 |
| Catalog Number | AG0094B3(AGN-PC-0WNMXM) |
| Chemical Name | N-cyclopropyl-4-nitro-2-(trifluoromethyl)aniline |
| IUPAC Name | N-cyclopropyl-4-nitro-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H9F3N2O2/c11-10(12,13)8-5-7(15(16)17)3-4-9(8)14-6-1-2-6/h3-6,14H,1-2H2 |
| InChI Key | FDTIGTKOZJEUPY-UHFFFAOYSA-N |
| MDL Number | MFCD12832985 |
| Molecular Formula | C10H9F3N2O2 |
| Molecular Weight | 246.1859 |
| SMILES | [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)NC1CC1 |
| Synonyms | N-cyclopropyl-4-nitro-2-(trifluoromethyl)aniline,
1179935-12-6,
ZINC37754779,
AKOS005935848,
Z7877,
K-1236,
C10H9F3N2O2,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.189g/mol |
| Monoisotopic Mass | 246.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number