1H-Pyrazole,4-bromo-1-methyl-3-(trifluoromethyl)- - CAS 497832-99-2
Catalog: |
BB053591 |
Product Name: |
1H-Pyrazole,4-bromo-1-methyl-3-(trifluoromethyl)- |
CAS: |
497832-99-2 |
Synonyms: |
4-Bromo-1-methyl-3-trifluoromethyl-1H-pyrazole |
IUPAC Name: | 4-bromo-1-methyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 229 |
Molecular Formula: | C5H4BrF3N2 |
Canonical SMILES: | CN1C=C(C(=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C5H4BrF3N2/c1-11-2-3(6)4(10-11)5(7,8)9/h2H,1H3 |
InChI Key: | TZAYNGPUOOUEAP-UHFFFAOYSA-N |
Boiling Point: | 200.4±35.0 °C at 760 mmHg |
Purity: | 97% |
Density: | 1.8±0.1 g/cm3 |
Appearance: | Off-white Solid |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.951 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.951 |
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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