| CAS Number | 1367816-40-7 |
| Catalog Number | AG01BEK6(AGN-PC-0WOTJP) |
| Chemical Name | 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 4-bromo-2,5-dimethylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H7BrN2O/c1-4-6(7)5(3-10)9(2)8-4/h3H,1-2H3 |
| InChI Key | RPUYPBVCDLSHRP-UHFFFAOYSA-N |
| MDL Number | MFCD22058061 |
| Molecular Formula | C6H7BrN2O |
| Molecular Weight | 203.0366 |
| SMILES | BrC=1C(=NN(C1C=O)C)C |
| Synonyms | 4-bromo-1,3-dimethyl-1H-pyrazole-5-carbaldehyde,
1367816-40-7,
ZINC82381371,
AKOS022693840,
NE31459,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.039g/mol |
| Monoisotopic Mass | 201.974g/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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