| CAS Number | 1052546-27-6 |
| Catalog Number | AG00HAM6(AGN-PC-0WR4J5) |
| Chemical Name | 4-(Chloromethyl)-2-(2-methoxyphenyl)-1,3-thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C11H10ClNOS.ClH/c1-14-10-5-3-2-4-9(10)11-13-8(6-12)7-15-11;/h2-5,7H,6H2,1H3;1H |
| InChI Key | HJMCIICXALMZPZ-UHFFFAOYSA-N |
| MDL Number | MFCD07290429 |
| Molecular Formula | C11H11Cl2NOS |
| Molecular Weight | 276.1821 |
| SMILES | Cl.COC1=C(C2SC=C(CCl)N=2)C=CC=C1 |
| Synonyms | 4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-thiazole hydrochloride,
1052546-27-6,
AC1Q3BYY,
CTK7B0983,
MFCD07290429,
AKOS023093164,
MCULE-7198498172,
NE13500,
EN300-09661,
4-(Chloromethyl)-2-(2-methoxyphenyl)-1,3-thiazole, HCl,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.175g/mol |
| Monoisotopic Mass | 274.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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