| CAS Number | 1217304-18-1 |
| Catalog Number | AG01FGWG(AGN-PC-3H5EBF) |
| Chemical Name | 2-Fluoro-4-(trifluoromethyl)-6-nitroaniline |
| IUPAC Name | 2-fluoro-6-nitro-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4F4N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2 |
| InChI Key | LFJROXCNNAAYME-UHFFFAOYSA-N |
| MDL Number | MFCD28348476 |
| Molecular Formula | C7H4F4N2O2 |
| Molecular Weight | 224.1125 |
| SMILES | NC1=C([N+]([O-])=O)C=C(C(F)(F)F)C=C1F |
| Synonyms | 4-Amino-3-fluoro-5-nitrobenzotrifluoride,
1217304-18-1,
SCHEMBL10285828,
MFCD28348476,
ZINC169801794,
PC501142,
2-FLUORO-4-(TRIFLUOROMETHYL)-6-NITROANILINE,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.115g/mol |
| Monoisotopic Mass | 224.021g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number