| CAS Number | 1092942-42-1 |
| Catalog Number | AG007B1E(AGN-PC-0C0BLM) |
| Chemical Name | 2-Bromo-N-methyl-1,3-thiazole-4-carboxamide |
| IUPAC Name | 2-bromo-N-methyl-1,3-thiazole-4-carboxamide |
| InChI | InChI=1S/C5H5BrN2OS/c1-7-4(9)3-2-10-5(6)8-3/h2H,1H3,(H,7,9) |
| InChI Key | IIVIJFKYLPGNBP-UHFFFAOYSA-N |
| MDL Number | MFCD20265433 |
| Molecular Formula | C5H5BrN2OS |
| Molecular Weight | 221.0750 |
| SMILES | O=C(C1=CSC(Br)=N1)NC |
| Synonyms | 1092942-42-1,
2-Bromo-N-methyl-1,3-thiazole-4-carboxamide,
2-Bromo-N-methylthiazole-4-carboxamide,
2-Bromo-N-methyl-4-thiazolecarboxamide,
ACMC-20992k,
SCHEMBL2927818,
CTK8A9200,
DTXSID50727795,
ANW-16026,
MFCD20265433,
ZINC85210253,
AKOS016008629,
4-Thiazolecarboxamide, 2-bromo-N-methyl-,
AJ-126493,
TC-104771,
Z7252,
K-0633,
C5H5BrN2OS,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.072g/mol |
| Monoisotopic Mass | 219.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number