| CAS Number | 1403483-65-7 |
| Catalog Number | AG009WQC(AGN-PC-0WNX8G) |
| Chemical Name | 4,5-Diiodo-1-(oxan-2-yl)pyrazole |
| IUPAC Name | 4,5-diiodo-1-(oxan-2-yl)pyrazole |
| InChI | InChI=1S/C8H10I2N2O/c9-6-5-11-12(8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2 |
| InChI Key | DXTLRUXAWBXFDB-UHFFFAOYSA-N |
| MDL Number | MFCD22549336 |
| Molecular Formula | C8H10I2N2O |
| Molecular Weight | 403.9867 |
| SMILES | Ic1cnn(c1I)C1CCCCO1 |
| Synonyms | 4,5-Diiodo-1-(oxan-2-yl)pyrazole,
1403483-65-7,
C8H10I2N2O,
KM5586,
V3061,
4,5-DIIODO-1-(OXAN-2-YL)-1H-PYRAZOLE,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.888g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.99g/mol |
| Monoisotopic Mass | 403.888g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number