| CAS Number | 1257535-50-4 |
| Catalog Number | AG00HIGP(AGN-PC-0WB2KC) |
| Chemical Name | 3-IODO-1,6-DIMETHYL-1H-INDAZOLE |
| IUPAC Name | 3-iodo-1,6-dimethylindazole |
| InChI | InChI=1S/C9H9IN2/c1-6-3-4-7-8(5-6)12(2)11-9(7)10/h3-5H,1-2H3 |
| InChI Key | PPFSZQGRATXJGW-UHFFFAOYSA-N |
| MDL Number | MFCD16628058 |
| Molecular Formula | C9H9IN2 |
| Molecular Weight | 272.0856 |
| SMILES | Cc1ccc2c(c1)n(nc2I)C |
| Synonyms | 1,6-Dimethyl-3-iodo-1H-indazole,
3-Iodo-1,6-Dimethyl-1H-indazole,
1257535-50-4,
MFCD16628058,
SCHEMBL14737731,
KS-00002AQ5,
ZX-AT003936,
ZINC71789872,
AKOS026671175,
FCH1346395,
OR18423,
PS-7278,
K-1909,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.089g/mol |
| Monoisotopic Mass | 271.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number