| CAS Number | 1803597-20-7 |
| Catalog Number | AG019VM6 |
| Chemical Name | N-{1-[(2-bromophenyl)methyl]-1H-pyrazol-5-yl}-2-chloroacetamide |
| IUPAC Name | N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-chloroacetamide |
| InChI | InChI=1S/C12H11BrClN3O/c13-10-4-2-1-3-9(10)8-17-11(5-6-15-17)16-12(18)7-14/h1-6H,7-8H2,(H,16,18) |
| InChI Key | DUBSPRQZQBYFNL-UHFFFAOYSA-N |
| MDL Number | MFCD26936307 |
| Molecular Formula | C12H11BrClN3O |
| Molecular Weight | 328.5922 |
| SMILES | ClCC(NC1N(CC2=C(Br)C=CC=C2)N=CC=1)=O |
| Synonyms | N-{1-[(2-bromophenyl)methyl]-1H-pyrazol-5-yl}-2-chloroacetamide,
1803597-20-7,
ZINC95863143,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.594g/mol |
| Monoisotopic Mass | 326.977g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number