| CAS Number | 98026-81-4 |
| Catalog Number | AG01DWXO |
| Chemical Name | 3,5-dibromo-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3,5-dibromo-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C4H2Br2N2O2/c5-2-1(4(9)10)3(6)8-7-2/h(H,7,8)(H,9,10) |
| InChI Key | HMYZODJJJKIHDK-UHFFFAOYSA-N |
| MDL Number | MFCD00462185 |
| Molecular Formula | C4H2Br2N2O2 |
| Molecular Weight | 269.8789 |
| SMILES | OC(C1=C(Br)NN=C1Br)=O |
| Synonyms | 3,5-dibromo-1H-pyrazole-4-carboxylic acid,
98026-81-4,
SCHEMBL12737399,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.88g/mol |
| Monoisotopic Mass | 267.848g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number