| CAS Number | 4218-94-4 |
| Catalog Number | AG01A3SM |
| Chemical Name | 4-Chloro-2,3,5,6-tetrafluoroaniline |
| IUPAC Name | 4-chloro-2,3,5,6-tetrafluoroaniline |
| InChI | InChI=1S/C6H2ClF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
| InChI Key | KNRIBPGPMVZBDZ-UHFFFAOYSA-N |
| MDL Number | MFCD20691003 |
| Molecular Formula | C6H2ClF4N |
| Molecular Weight | 199.5334 |
| SMILES | ClC1=C(C(=C(N)C(=C1F)F)F)F |
| Synonyms | 4-chloro-2,3,5,6-tetrafluoroaniline,
4218-94-4,
SCHEMBL5542126,
ZINC39250790,
2,3,5,6-Tetrafluoro-4-chloroaniline,
J3.512.242G,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.533g/mol |
| Monoisotopic Mass | 198.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number