| CAS Number | 1052545-61-5 |
| Catalog Number | AG008U5W |
| Chemical Name | 4-(Chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C13H14ClNO2S.ClH/c1-3-17-11-5-4-9(6-12(11)16-2)13-15-10(7-14)8-18-13;/h4-6,8H,3,7H2,1-2H3;1H |
| InChI Key | MXSXWVQMWRTJJK-UHFFFAOYSA-N |
| MDL Number | MFCD07286000 |
| Molecular Formula | C13H15Cl2NO2S |
| Molecular Weight | 320.2347 |
| SMILES | COC1=CC(C2=NC(CCl)=CS2)=CC=C1OCC.[H]Cl |
| Synonyms | 4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride,
1052545-61-5,
AC1Q39YM,
MLS000770677,
CHEMBL1573706,
CTK6G2524,
AKOS027427057,
NE13487,
SMR000343867,
EN300-07272,
SR-01000048028,
J-513685,
SR-01000048028-1,
4-(Chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)thiazole hydrochloride,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.228g/mol |
| Monoisotopic Mass | 319.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number