| CAS Number | 1175788-58-5 |
| Catalog Number | AG007QX4(AGN-PC-05RVHW) |
| Chemical Name | 4-iodo-1-vinyl-1H-pyrazole |
| IUPAC Name | 1-ethenyl-4-iodopyrazole |
| InChI | InChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2 |
| InChI Key | ZBUGBGHFOYSENG-UHFFFAOYSA-N |
| MDL Number | MFCD12198431 |
| Molecular Formula | C5H5IN2 |
| Molecular Weight | 220.0111 |
| SMILES | N1=CC(=CN1C=C)I |
| Synonyms | 4-IODO-1-VINYL-1H-PYRAZOLE,
1175788-58-5,
ACMC-2099um,
1-Ethenyl-4-iodo-1H-pyrazole,
CTK4B0338,
DTXSID20653234,
ZX-CM006602,
ANW-17036,
FCH933361,
MFCD12198431,
ZINC29865927,
AKOS006340243,
AJ-83815,
AX8231455,
TR-034178,
ST24023575,
Z7842,
A-5231,
I14-25456,
C5H5IN2,
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| Complexity | 94.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.013g/mol |
| Monoisotopic Mass | 219.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number