| CAS Number | 1171519-22-4 |
| Catalog Number | AG019V9F(AGN-PC-0WO76T) |
| Chemical Name | 4-(chloromethyl)-2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C8H8ClN3S.ClH/c1-12-4-6(3-10-12)8-11-7(2-9)5-13-8;/h3-5H,2H2,1H3;1H |
| InChI Key | HNFUAJWZSJIATE-UHFFFAOYSA-N |
| MDL Number | MFCD12197079 |
| Molecular Formula | C8H9Cl2N3S |
| Molecular Weight | 250.1482 |
| SMILES | Cl.CN1N=CC(C2SC=C(CCl)N=2)=C1 |
| Synonyms | 4-(chloromethyl)-2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole hydrochloride,
1171519-22-4,
AC1Q3BN1,
CTK6H6775,
AKOS026728426,
MCULE-9400750865,
NE60108,
EN300-44152,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.141g/mol |
| Monoisotopic Mass | 248.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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