| CAS Number | 1354706-38-9 |
| Catalog Number | AG019YEX(AGN-PC-0WBEHB) |
| Chemical Name | 3-Iodo-1,5-dimethyl-1H-pyrazole |
| IUPAC Name | 3-iodo-1,5-dimethylpyrazole |
| InChI | InChI=1S/C5H7IN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3 |
| InChI Key | HTGYBABURKWGBS-UHFFFAOYSA-N |
| MDL Number | MFCD22369796 |
| Molecular Formula | C5H7IN2 |
| Molecular Weight | 222.0269 |
| SMILES | CC1=CC(=NN1C)I |
| Synonyms | 3-iodo-1,5-dimethyl-1H-pyrazole,
1354706-38-9,
3-iodo-1,5-dimethyl-1{H}-pyrazole,
SCHEMBL13910099,
HTGYBABURKWGBS-UHFFFAOYSA-N,
MFCD22369796,
STL415178,
ZINC72339564,
AKOS015921111,
MCULE-9662512319,
NE49793,
FT-0751749,
|
| 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
Certificate of Analysis
Lot Number