3-Bromo-1-isobutyl-1H-pyrazole - CAS 1354704-68-9
Catalog: |
BB052149 |
Product Name: |
3-Bromo-1-isobutyl-1H-pyrazole |
CAS: |
1354704-68-9 |
Synonyms: |
3-Bromo-1-isobutyl-1H-pyrazole |
IUPAC Name: | 3-bromo-1-(2-methylpropyl)pyrazole |
Molecular Weight: | 203.08 |
Molecular Formula: | C7H11BrN2 |
Canonical SMILES: | CC(C)CN1C=CC(=N1)Br |
InChI: | InChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-7(8)9-10/h3-4,6H,5H2,1-2H3 |
InChI Key: | QCKZMRSJDCPZIC-UHFFFAOYSA-N |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.01056 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.01056 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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