| CAS Number | 910787-71-2 |
| Catalog Number | AG01EZ0C(AGN-PC-3H48J3) |
| Chemical Name | 2,6-Difluoro-4-iodobenzotrifluoride |
| IUPAC Name | 1,3-difluoro-5-iodo-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2F5I/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H |
| InChI Key | PFVGWSZEDWYASA-UHFFFAOYSA-N |
| MDL Number | MFCD28396364 |
| Molecular Formula | C7H2F5I |
| Molecular Weight | 307.9873 |
| SMILES | C1(F)C(C(F)(F)F)=C(F)C=C(I)C=1 |
| Synonyms | 2,6-Difluoro-4-iodobenzotrifluoride,
910787-71-2,
1,3-DIFLUORO-5-IODO-2-(TRIFLUOROMETHYL)BENZENE,
SCHEMBL15458100,
MFCD28396364,
ZINC142676889,
FCH4098075,
PC501495,
3,5-Difluoro-4-trifluoromethyl-1-iodobenzene,
|
| Complexity | 168 |
| 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 |
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Certificate of Analysis
Lot Number