| CAS Number | 864835-24-5 |
| Catalog Number | AG00IE3H |
| Chemical Name | 4-(3-Bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole |
| IUPAC Name | 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole |
| InChI | InChI=1S/C11H10BrNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3 |
| InChI Key | OMSSNTRYIIEBGA-UHFFFAOYSA-N |
| MDL Number | MFCD05983448 |
| Molecular Formula | C11H10BrNOS |
| Molecular Weight | 284.1722 |
| SMILES | COc1ccc(cc1Br)c1csc(n1)C |
| Synonyms | 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole,
864835-24-5,
AC1LHF8V,
MLS000684072,
CHEMBL1440667,
HMS2728G12,
ZINC459114,
STK515023,
AKOS001174087,
MCULE-7442143834,
SMR000291716,
ST45209403,
Z48850677,
2-bromo-1-methoxy-4-(2-methyl(1,3-thiazol-4-yl))benzene,
CID886409,
ZINC00459114,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.171g/mol |
| Monoisotopic Mass | 282.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number