| CAS Number | 85779-98-2 |
| Catalog Number | AG00GPX0(AGN-PC-00KQUQ) |
| Chemical Name | 1,3-Dimethyl-5-iodopyrazole |
| IUPAC Name | 5-iodo-1,3-dimethylpyrazole |
| InChI | InChI=1S/C5H7IN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3 |
| InChI Key | AEXAZEZTTPOFKW-UHFFFAOYSA-N |
| MDL Number | MFCD09743720 |
| Molecular Formula | C5H7IN2 |
| Molecular Weight | 222.0269 |
| SMILES | Cc1nn(c(c1)I)C |
| Synonyms | 1,3-Dimethyl-5-iodopyrazole,
85779-98-2,
5-iodo-1,3-dimethyl-1h-pyrazole,
5-iodo-1,3-dimethylpyrazole,
SCHEMBL5341363,
AEXAZEZTTPOFKW-UHFFFAOYSA-,
CTK6C4616,
MFCD09743720,
ZINC15443594,
AKOS005264392,
FS-6332,
TR-048534,
BB 0259677,
CS-0038532,
InChI=1/C5H7IN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3,
N/A,
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| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.029g/mol |
| Monoisotopic Mass | 221.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number