| CAS Number | 1935141-14-2 |
| Catalog Number | AG01FDZJ(AGN-PC-3H4A0D) |
| Chemical Name | 2,6-Difluoro-3-iodobenzotrifluoride |
| IUPAC Name | 1,3-difluoro-4-iodo-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2F5I/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2H |
| InChI Key | KIRVFVYAFBNDQJ-UHFFFAOYSA-N |
| MDL Number | MFCD29035082 |
| Molecular Formula | C7H2F5I |
| Molecular Weight | 307.9873 |
| SMILES | Fc1ccc(c(c1C(F)(F)F)F)I |
| Synonyms | 2,6-Difluoro-3-iodobenzotrifluoride,
1935141-14-2,
ZINC263620167,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.989g/mol |
| Monoisotopic Mass | 307.912g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number