| CAS Number | 1427022-51-2 |
| Catalog Number | AG01AOUW(AGN-PC-0WBEZJ) |
| Chemical Name | Ethyl 2-(3-bromo-1H-pyrazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(3-bromopyrazol-1-yl)acetate |
| InChI | InChI=1S/C7H9BrN2O2/c1-2-12-7(11)5-10-4-3-6(8)9-10/h3-4H,2,5H2,1H3 |
| InChI Key | IMWLWWYQQUKCPH-UHFFFAOYSA-N |
| MDL Number | MFCD23134819 |
| Molecular Formula | C7H9BrN2O2 |
| Molecular Weight | 233.0626 |
| SMILES | CCOC(=O)CN1C=CC(=N1)Br |
| Synonyms | Ethyl 2-(3-bromo-1H-pyrazol-1-yl)acetate,
1427022-51-2,
ethyl (3-bromo-1H-pyrazol-1-yl)acetate,
MFCD23134819,
STL415479,
ZINC95094180,
AKOS025255549,
MCULE-4635781918,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.065g/mol |
| Monoisotopic Mass | 231.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number