| CAS Number | 1367843-92-2 |
| Catalog Number | AG01BFOI(AGN-PC-0WOREK) |
| Chemical Name | 3-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 5-bromo-2-methylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C5H5BrN2O/c1-8-4(3-9)2-5(6)7-8/h2-3H,1H3 |
| InChI Key | AONGIFTUQBTSPE-UHFFFAOYSA-N |
| MDL Number | MFCD22062891 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | CN1C(C=O)=CC(Br)=N1 |
| Synonyms | 3-bromo-1-methyl-1H-pyrazole-5-carbaldehyde,
1367843-92-2,
SCHEMBL15400895,
AONGIFTUQBTSPE-UHFFFAOYSA-N,
ZINC82391151,
AKOS022702466,
NE48927,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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