| CAS Number | 1638328-80-9 |
| Catalog Number | AG01FCSQ(AGN-PC-3H49NC) |
| Chemical Name | 2,4-Difluoro-3-(difluoromethyl)aniline |
| IUPAC Name | 3-(difluoromethyl)-2,4-difluoroaniline |
| InChI | InChI=1S/C7H5F4N/c8-3-1-2-4(12)6(9)5(3)7(10)11/h1-2,7H,12H2 |
| InChI Key | QUZDNISRAQLMFK-UHFFFAOYSA-N |
| MDL Number | MFCD28788378 |
| Molecular Formula | C7H5F4N |
| Molecular Weight | 179.1149 |
| SMILES | FC(c1c(F)ccc(c1F)N)F |
| Synonyms | 2,4-Difluoro-3-(difluoromethyl)aniline,
1638328-80-9,
SCHEMBL16237363,
ZINC263620183,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.118g/mol |
| Monoisotopic Mass | 179.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number