5-Bromo-3-methoxy-1H-pyrazole - CAS 1015779-81-3
Catalog: |
BB073135 |
Product Name: |
5-Bromo-3-methoxy-1H-pyrazole |
CAS: |
1015779-81-3 |
Synonyms: |
5-bromo-3-methoxy-1H-pyrazole; 3-Bromo-5-methoxy-1H-pyrazole |
IUPAC Name: | 5-bromo-3-methoxy-1H-pyrazole |
Description: | 5-Bromo-3-methoxy-1H-pyrazole is a useful research chemical compound used as a reactant in the preparation of azacyclic amides as fungicides. |
Molecular Weight: | 177 |
Molecular Formula: | C4H5BrN2O |
Canonical SMILES: | COC1=NNC(=C1)Br |
InChI: | InChI=1S/C4H5BrN2O/c1-8-4-2-3(5)6-7-4/h2H,1H3,(H,6,7) |
InChI Key: | LAQSBAXFMLYKSV-UHFFFAOYSA-N |
References: | Pasteris, R., et al. U.S. US 8642634, 208, (2014). |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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