| CAS Number | 1354706-35-6 |
| Catalog Number | AG01AOO9(AGN-PC-0WBEH5) |
| Chemical Name | 3-Bromo-1-(Propan-2-Yl)-1H-Pyrazole |
| IUPAC Name | 3-bromo-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3 |
| InChI Key | GJVGXZORKKMNQY-UHFFFAOYSA-N |
| MDL Number | MFCD23134826 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | BrC1=NN(C=C1)C(C)C |
| Synonyms | 1354706-35-6,
3-bromo-1-(propan-2-yl)-1H-pyrazole,
3-bromo-1-isopropyl-1{H}-pyrazole,
SCHEMBL569695,
3-bromo-1-isopropyl-1H-pyrazole,
MFCD23134826,
ZINC72339553,
AKOS015921099,
MCULE-6424489764,
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| Complexity | 95.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.056g/mol |
| Monoisotopic Mass | 187.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number