| CAS Number | 1208077-87-5 |
| Catalog Number | AG01FELI(AGN-PC-3H4A2G) |
| Chemical Name | 2-chloro-3,4-difluoro-1-iodobenzene |
| IUPAC Name | 3-chloro-1,2-difluoro-4-iodobenzene |
| InChI | InChI=1S/C6H2ClF2I/c7-5-4(10)2-1-3(8)6(5)9/h1-2H |
| InChI Key | HIEAQOVWDAYTEU-UHFFFAOYSA-N |
| MDL Number | MFCD12922592 |
| Molecular Formula | C6H2ClF2I |
| Molecular Weight | 274.4344 |
| SMILES | C1C=C(I)C(Cl)=C(F)C=1F |
| Synonyms | 2-Chloro-3,4-difluoroiodobenzene,
1208077-87-5,
2-Chloro-3,4-difluoro-1-iodobenzene,
SCHEMBL18709780,
ZINC66318909,
AKOS027360159,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.433g/mol |
| Monoisotopic Mass | 273.886g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number