| CAS Number | 879609-86-6 |
| Catalog Number | AG004D4C(AGN-PC-0WB3SS) |
| Chemical Name | 2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide |
| IUPAC Name | 2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide |
| InChI | InChI=1S/C7H9BrN2OS/c1-4-3-12-7(9-4)10-6(11)5(2)8/h3,5H,1-2H3,(H,9,10,11) |
| InChI Key | NQKIOXSOJPKEKT-UHFFFAOYSA-N |
| MDL Number | MFCD08670218 |
| Molecular Formula | C7H9BrN2OS |
| Molecular Weight | 249.1282 |
| SMILES | C1(SC=C(C)N=1)NC(C(C)Br)=O |
| Synonyms | 2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide,
879609-86-6,
2-Bromo-N-(4-methylthiazol-2-yl)propanamide,
CTK5F9195,
DTXSID60586118,
MFCD08670218,
STK230301,
AKOS003666735,
AKOS022071020,
MCULE-8634019830,
Y-4044,
CHEMBRDG-BB4024593,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.126g/mol |
| Monoisotopic Mass | 247.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number