| CAS Number | 105466-41-9 |
| Catalog Number | AG009A5Y(AGN-PC-00NFY2) |
| Chemical Name | (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methanol |
| IUPAC Name | (5-chloro-1,3-dimethylpyrazol-4-yl)methanol |
| InChI | InChI=1S/C6H9ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h10H,3H2,1-2H3 |
| InChI Key | MJRUYPWXZWNTHR-UHFFFAOYSA-N |
| MDL Number | MFCD06202854 |
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.6015 |
| SMILES | OCC1=C(Cl)N(C)N=C1C |
| Synonyms | (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methanol,
105466-41-9,
SCHEMBL844460,
RARECHEM AL BD 0944,
MJRUYPWXZWNTHR-UHFFFAOYSA-N,
ZINC34121752,
AKOS009321231,
MCULE-1929368458,
NE29570,
EN300-80770,
5-CHloro-1,3-dimethyl-1H-pyrazole-4-methanol,
5-chloro-1,3-dimethyl-4-hydroxymethylpyrazole,
Z1696844457,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.601g/mol |
| Monoisotopic Mass | 160.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number