| CAS Number | 1780810-93-6 |
| Catalog Number | AG01ALU1 |
| Chemical Name | (3-chloro-1-methyl-1H-pyrazol-4-yl)methanol |
| IUPAC Name | (3-chloro-1-methylpyrazol-4-yl)methanol |
| InChI | InChI=1S/C5H7ClN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3 |
| InChI Key | UEMGMBFXRFEYDP-UHFFFAOYSA-N |
| MDL Number | MFCD28539281 |
| Molecular Formula | C5H7ClN2O |
| Molecular Weight | 146.5749 |
| SMILES | CN1N=C(Cl)C(CO)=C1 |
| Synonyms | (3-chloro-1-methyl-1H-pyrazol-4-yl)methanol,
1780810-93-6,
ZINC219194892,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.574g/mol |
| Monoisotopic Mass | 146.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number