| CAS Number | 847818-48-8 |
| Catalog Number | AG003KUZ(AGN-PC-04060S) |
| Chemical Name | 4-bromo-1-isopentyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(3-methylbutyl)pyrazole |
| InChI | InChI=1S/C8H13BrN2/c1-7(2)3-4-11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3 |
| InChI Key | PSQJFVJRFQJOBI-UHFFFAOYSA-N |
| MDL Number | MFCD12026053 |
| Molecular Formula | C8H13BrN2 |
| Molecular Weight | 217.1062 |
| SMILES | CC(C)CCN1N=CC(Br)=C1 |
| Synonyms | 4-Bromo-1-isopentylpyrazole,
847818-48-8,
4-Bromo-1-isopentyl-1H-pyrazole,
4-Bromo-1-(3-methylbutyl)-1H-pyrazole,
ACMC-209pwh,
CTK5F3099,
DTXSID40631519,
ANW-37839,
MFCD12026053,
ZINC38074757,
AKOS010259232,
RTR-026197,
AJ-94525,
4-BROMO-1-(3-METHYLBUTYL)PYRAZOLE,
TR-026197,
V7952,
B-4043,
I14-24723,
F2147-6942,
C8H13BrN2,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.11g/mol |
| Monoisotopic Mass | 216.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number