| CAS Number | 847906-31-4 |
| Catalog Number | AG008GHY(AGN-PC-0OJBX4) |
| Chemical Name | 3-Iodo-5,7-dimethyl-1H-indazole |
| IUPAC Name | 3-iodo-5,7-dimethyl-2H-indazole |
| InChI | InChI=1S/C9H9IN2/c1-5-3-6(2)8-7(4-5)9(10)12-11-8/h3-4H,1-2H3,(H,11,12) |
| InChI Key | DLCDUTHOBKEMRI-UHFFFAOYSA-N |
| MDL Number | MFCD09263209 |
| Molecular Formula | C9H9IN2 |
| Molecular Weight | 272.0856 |
| SMILES | CC1=CC2=C(NN=C2I)C(C)=C1 |
| Synonyms | 3-iodo-5,7-dimethyl-1H-indazole,
847906-31-4,
1H-Indazole,3-iodo-5,7-dimethyl-,
3-Iodo-5,7-dimethyl (1H)indazole,
3-iodo-5,7-dimethyl-2H-indazole,
SCHEMBL5769361,
CTK5F3146,
DTXSID00623995,
DLCDUTHOBKEMRI-UHFFFAOYSA-N,
ZINC14985956,
W-3073,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.089g/mol |
| Monoisotopic Mass | 271.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number