| CAS Number | 1354705-41-1 |
| Catalog Number | AG01A04Q(AGN-PC-0WBDFK) |
| Chemical Name | 1-tert-butyl-4-iodo-1H-pyrazole |
| IUPAC Name | 1-tert-butyl-4-iodopyrazole |
| InChI | InChI=1S/C7H11IN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3 |
| InChI Key | ZSBPKSWLKACLRO-UHFFFAOYSA-N |
| MDL Number | MFCD22378621 |
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.0801 |
| SMILES | C(C)(C)(C)N1N=CC(=C1)I |
| Synonyms | 1-tert-butyl-4-iodo-1H-pyrazole,
1354705-41-1,
1-(tert-Butyl)-4-iodo-1H-pyrazole,
1-(tert-butyl)-4-iodopyrazole,
1-t-Butyl-4-iodo-1H-pyrazole,
SCHEMBL15885064,
MFCD22378621,
SBB074012,
ZINC72339217,
AKOS015920863,
MCULE-9810585380,
NE16900,
SB12178,
Z1431002662,
N/A,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.083g/mol |
| Monoisotopic Mass | 249.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number