| CAS Number | 1345471-54-6 |
| Catalog Number | AG007M37(AGN-PC-0WABHF) |
| Chemical Name | 5-Iodo-1-isopropylpyrazole |
| IUPAC Name | 5-iodo-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C6H9IN2/c1-5(2)9-6(7)3-4-8-9/h3-5H,1-2H3 |
| InChI Key | ZIGKBLQYJMQQQE-UHFFFAOYSA-N |
| MDL Number | MFCD20441939 |
| Molecular Formula | C6H9IN2 |
| Molecular Weight | 236.0535 |
| SMILES | CC(N1C(I)=CC=N1)C |
| Synonyms | 5-Iodo-1-isopropylpyrazole,
1345471-54-6,
5-Iodo-1-isopropyl-1H-pyrazole,
5-Iodo-1-(propan-2-yl)-1H-pyrazole,
ACMC-209bvf,
SCHEMBL16100499,
CTK8B0238,
DTXSID90718445,
ANW-19657,
MFCD20441939,
ZINC74937920,
AKOS022173329,
MCULE-3982502025,
AJ-121508,
TC-108402,
Z9781,
K-4248,
C6H9IN2,
|
| Complexity | 95.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.056g/mol |
| Monoisotopic Mass | 235.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number