4-Bromo-5-fluoro-1,3-dimethyl-1H-pyrazole - CAS 1392274-42-8
Catalog: |
BB052217 |
Product Name: |
4-Bromo-5-fluoro-1,3-dimethyl-1H-pyrazole |
CAS: |
1392274-42-8 |
Synonyms: |
4-bromo-5-fluoro-1,3-dimethyl-1H-pyrazole |
IUPAC Name: | 4-bromo-5-fluoro-1,3-dimethylpyrazole |
Molecular Weight: | 193.02 |
Molecular Formula: | C5H6BrFN2 |
Canonical SMILES: | CC1=NN(C(=C1Br)F)C |
InChI: | InChI=1S/C5H6BrFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3 |
InChI Key: | FQVSCBJYJWWQNS-UHFFFAOYSA-N |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.96984 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.96984 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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