| CAS Number | 1179904-89-2 |
| Catalog Number | AG008VIW(AGN-PC-0WB5HD) |
| Chemical Name | 2-(4-Bromo-1H-pyrazol-1-yl)-N-methylacetamide |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)-N-methylacetamide |
| InChI | InChI=1S/C6H8BrN3O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4H2,1H3,(H,8,11) |
| InChI Key | TWHACBMAWLNUBF-UHFFFAOYSA-N |
| MDL Number | MFCD12819524 |
| Molecular Formula | C6H8BrN3O |
| Molecular Weight | 218.0512 |
| SMILES | N1(CC(NC)=O)C=C(C=N1)Br |
| Synonyms | 2-(4-BROMO-1H-PYRAZOL-1-YL)-N-METHYLACETAMIDE,
1179904-89-2,
SCHEMBL17605717,
DTXSID00598856,
MFCD12819524,
ZINC37996124,
AKOS010135152,
MCULE-1343853289,
AJ-94444,
Y-7225,
2-(4-bromo-1H-pyrazol-1-yl)-N-methylacetamide(SALTDATA,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.054g/mol |
| Monoisotopic Mass | 216.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number