| CAS Number | 1228813-89-5 |
| Catalog Number | AG01BTHT |
| Chemical Name | 2,3,4,5-Tetrafluoro-6-iodoaniline |
| IUPAC Name | 2,3,4,5-tetrafluoro-6-iodoaniline |
| InChI | InChI=1S/C6H2F4IN/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
| InChI Key | CJAYCTZFMUEVOD-UHFFFAOYSA-N |
| MDL Number | MFCD30539815 |
| Molecular Formula | C6H2F4IN |
| Molecular Weight | 290.9849 |
| SMILES | NC1=C(I)C(F)=C(F)C(F)=C1F |
| Synonyms | 2,3,4,5-tetrafluoro-6-iodoaniline,
2-iodo-3,4,5,6-tetrafluoroaniline,
1228813-89-5,
ZINC206905581,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.987g/mol |
| Monoisotopic Mass | 290.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number