| CAS Number | 1171958-63-6 |
| Catalog Number | AG019M4R |
| Chemical Name | N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}benzamide hydrochloride |
| IUPAC Name | N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride |
| InChI | InChI=1S/C12H11ClN2OS.ClH/c13-6-10-8-17-11(15-10)7-14-12(16)9-4-2-1-3-5-9;/h1-5,8H,6-7H2,(H,14,16);1H |
| InChI Key | WELFFTRMWFEYPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09054664 |
| Molecular Formula | C12H12Cl2N2OS |
| Molecular Weight | 303.2075 |
| SMILES | Cl.ClCC1N=C(CNC(C2=CC=CC=C2)=O)SC=1 |
| Synonyms | N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}benzamide hydrochloride,
1171958-63-6,
AC1Q3BH7,
CTK6H6802,
AKOS030648537,
MCULE-5484235289,
NE26524,
EN300-34642,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.201g/mol |
| Monoisotopic Mass | 302.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number