| CAS Number | 1027513-06-9 |
| Catalog Number | AG00MH6X(AGN-PC-3H4573) |
| Chemical Name | 2,5-Dibromo-6-fluoro-3-(trifluoromethyl)aniline |
| IUPAC Name | 2,4-dibromo-6-fluoro-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H3Br2F4N/c8-2-1-3(10)6(14)5(9)4(2)7(11,12)13/h1H,14H2 |
| InChI Key | WRCZRTWQTXVDIN-UHFFFAOYSA-N |
| MDL Number | MFCD09800716 |
| Molecular Formula | C7H3Br2F4N |
| Molecular Weight | 336.9070 |
| SMILES | C1(C(F)(F)F)=C(Br)C(=C(C=C1Br)F)N |
| Synonyms | 1027513-06-9,
3-Amino-2,6-dibromo-4-fluorobenzotrifluoride,
2,4-dibromo-6-fluoro-3-(trifluoromethyl)aniline,
ZINC31829465,
AKOS027385696,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.91g/mol |
| Monoisotopic Mass | 334.857g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number