| CAS Number | 1308384-38-4 |
| Catalog Number | AG00HS9N(AGN-PC-0WB5IR) |
| Chemical Name | 5-bromo-1-isopropylpyrazole |
| IUPAC Name | 5-bromo-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-5(2)9-6(7)3-4-8-9/h3-5H,1-2H3 |
| InChI Key | OJWILTQCUWTJSI-UHFFFAOYSA-N |
| MDL Number | MFCD18917011 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | BrC1=CC=NN1C(C)C |
| Synonyms | 5-bromo-1-isopropyl-1H-pyrazole,
1308384-38-4,
1H-pyrazole, 5-bromo-1-(1-methylethyl)-,
5-BROMO-1-ISOPROPYLPYRAZOLE,
ALBB-028851,
MFCD18917011,
ZINC67425110,
AKOS017504547,
MCULE-7160508128,
5-bromo-1-(propan-2-yl)-1H-pyrazole,
5-Bromo-1-isopropyl-1H-pyrazole, AldrichCPR,
Y-7990,
5-bromo-1-propan-2-ylpyrazole,
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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