| CAS Number | 1251029-14-7 |
| Catalog Number | AG01AGTQ(AGN-PC-0WO881) |
| Chemical Name | 4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole |
| IUPAC Name | 4-chloro-1-prop-2-ynylpyrazole |
| InChI | InChI=1S/C6H5ClN2/c1-2-3-9-5-6(7)4-8-9/h1,4-5H,3H2 |
| InChI Key | ADZNTQDIKOAPEK-UHFFFAOYSA-N |
| MDL Number | MFCD14638461 |
| Molecular Formula | C6H5ClN2 |
| Molecular Weight | 140.5703 |
| SMILES | ClC1=CN(CC#C)N=C1 |
| Synonyms | 4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole,
1251029-14-7,
AC1Q3KOO,
SCHEMBL19768876,
ZINC42012039,
AKOS010598030,
NE46456,
EN300-72812,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.57g/mol |
| Monoisotopic Mass | 140.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number