4-Bromo-1-[bromo(difluoro)methyl]pyrazole - CAS 1046831-96-2
Catalog: |
BB072320 |
Product Name: |
4-Bromo-1-[bromo(difluoro)methyl]pyrazole |
CAS: |
1046831-96-2 |
Synonyms: |
4-bromo-1-(bromodifluoromethyl)-1H-pyrazole; 4-bromo-1-[bromo(difluoro)methyl]pyrazole |
IUPAC Name: | 4-bromo-1-[bromo(difluoro)methyl]pyrazole |
Molecular Weight: | 275.88 |
Molecular Formula: | C4H2N2F2Br2 |
Canonical SMILES: | C1=C(C=NN1C(F)(F)Br)Br |
InChI: | InChI=1S/C4H2Br2F2N2/c5-3-1-9-10(2-3)4(6,7)8/h1-2H |
InChI Key: | ADSBPQWZGFOPAT-UHFFFAOYSA-N |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.85323 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.85528 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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