| CAS Number | 1208074-97-8 |
| Catalog Number | AG01FFFZ(AGN-PC-3H4A5F) |
| Chemical Name | 4-Iodo-2,6-difluorotoluene |
| IUPAC Name | 1,3-difluoro-5-iodo-2-methylbenzene |
| InChI | InChI=1S/C7H5F2I/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,1H3 |
| InChI Key | VTEIBFNEDCDZBL-UHFFFAOYSA-N |
| MDL Number | MFCD12922635 |
| Molecular Formula | C7H5F2I |
| Molecular Weight | 254.0159 |
| SMILES | c1(c(c(cc(c1)I)F)C)F |
| Synonyms | 4-Iodo-2,6-difluorotoluene,
1208074-97-8,
1,3-difluoro-5-iodo-2-methylbenzene,
2,6-Difluoro-4-iodotoluene,
SCHEMBL752725,
DTXSID20679272,
ZINC66318964,
AKOS027342595,
FS-6407,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.018g/mol |
| Monoisotopic Mass | 253.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number