| CAS Number | 60061-70-3 |
| Catalog Number | AG01ELII |
| Chemical Name | 4-Bromo-3,5-diethyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3,5-diethyl-1H-pyrazole |
| InChI | InChI=1S/C7H11BrN2/c1-3-5-7(8)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10) |
| InChI Key | OTSLGRMIYOSZPY-UHFFFAOYSA-N |
| MDL Number | MFCD31615930 |
| Molecular Formula | C7H11BrN2 |
| Molecular Weight | 203.0796 |
| SMILES | CCC1=C(Br)C(CC)=NN1 |
| Synonyms | SCHEMBL8943452,
4-bromo-3,5-diethyl-1H-pyrazole,
60061-70-3,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.083g/mol |
| Monoisotopic Mass | 202.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Lot Number