| CAS Number | 888484-99-9 |
| Catalog Number | AG00H49P |
| Chemical Name | 3,5-Dibromo-1H-Pyrazole-4-Carbaldehyde |
| IUPAC Name | 3,5-dibromo-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C4H2Br2N2O/c5-3-2(1-9)4(6)8-7-3/h1H,(H,7,8) |
| InChI Key | BKUYWYXSQUOTIP-UHFFFAOYSA-N |
| MDL Number | MFCD14706480 |
| Molecular Formula | C4H2Br2N2O |
| Molecular Weight | 253.8795 |
| SMILES | c1(c(c(n[nH]1)Br)C=O)Br |
| Synonyms | 3,5-dibromo-1H-pyrazole-4-carbaldehyde,
888484-99-9,
SCHEMBL348134,
BKUYWYXSQUOTIP-UHFFFAOYSA-N,
ZINC113634245,
DA-01759,
3,5-dibromo-1H-pyrazole-4-carboxaldehyde,
FT-0763069,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.881g/mol |
| Monoisotopic Mass | 251.853g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number