| CAS Number | 98453-26-0 |
| Catalog Number | AG0068C0(AGN-PC-03FQ8Y) |
| Chemical Name | 5-Bromo-N-methylthiophene-2-carboxamide |
| IUPAC Name | 5-bromo-N-methylthiophene-2-carboxamide |
| InChI | InChI=1S/C6H6BrNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9) |
| InChI Key | AACIFRQMXAAYAM-UHFFFAOYSA-N |
| MDL Number | MFCD08691957 |
| Molecular Formula | C6H6BrNOS |
| Molecular Weight | 220.0869 |
| SMILES | O=C(C1=CC=C(Br)S1)NC |
| Synonyms | 98453-26-0,
5-BROMO-N-METHYL-2-THIOPHENECARBOXAMIDE,
5-Bromo-N-methylthiophene-2-carboxamide,
5-Bromothenoylmethylamide,
SCHEMBL3848242,
CTK5H9872,
DTXSID30618117,
CHEMBRDG-BB 9071495,
MFCD08691957,
ZINC16576884,
AKOS008920104,
MCULE-1019624159,
AJ-68931,
Y-4595,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.084g/mol |
| Monoisotopic Mass | 218.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number