| CAS Number | 1052537-37-7 |
| Catalog Number | AG019JRH |
| Chemical Name | 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C12H12ClNO2S.ClH/c1-15-10-4-3-8(5-11(10)16-2)12-14-9(6-13)7-17-12;/h3-5,7H,6H2,1-2H3;1H |
| InChI Key | SCVPWOZFKMIFNC-UHFFFAOYSA-N |
| MDL Number | MFCD07288348 |
| Molecular Formula | C12H13Cl2NO2S |
| Molecular Weight | 306.2081 |
| SMILES | Cl.COC1=C(OC)C=C(C2SC=C(CCl)N=2)C=C1 |
| Synonyms | 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride,
55315-32-7,
1052537-37-7,
AC1Q3C0A,
MLS001004200,
CHEMBL1501259,
AKOS024124079,
MCULE-3612134343,
NE20754,
SMR000377787,
EN300-10198,
SR-01000054750,
SR-01000054750-1,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.201g/mol |
| Monoisotopic Mass | 305.004g/mol |
| Rotatable Bond Count | 4 |
| 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