| CAS Number | 1334500-09-2 |
| Catalog Number | AG0072MY(AGN-PC-0AC141) |
| Chemical Name | 3-Iodo-1-propylpyrazole |
| IUPAC Name | 3-iodo-1-propylpyrazole |
| InChI | InChI=1S/C6H9IN2/c1-2-4-9-5-3-6(7)8-9/h3,5H,2,4H2,1H3 |
| InChI Key | GKECSHRUAMABEX-UHFFFAOYSA-N |
| MDL Number | MFCD20231488 |
| Molecular Formula | C6H9IN2 |
| Molecular Weight | 236.0535 |
| SMILES | CCCN1N=C(I)C=C1 |
| Synonyms | 3-Iodo-1-propyl-1H-pyrazole,
1334500-09-2,
3-Iodo-1-propylpyrazole,
ACMC-209bsg,
CTK8B0196,
DTXSID10716706,
ANW-19550,
MFCD20231488,
ZINC72339574,
AKOS015907913,
MCULE-9065442126,
AJ-121074,
TC-108295,
ST24022913,
Z9713,
B-7166,
I14-25462,
C6H9IN2,
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| Complexity | 87.1 |
| 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 | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number