4-Bromo-5-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole - CAS 1883290-08-1
Catalog: |
BB051505 |
Product Name: |
4-Bromo-5-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole |
CAS: |
1883290-08-1 |
Synonyms: |
1H-Pyrazole, 4-bromo-5-methyl-1-(3,3,3-trifluoropropyl)- |
IUPAC Name: | 4-bromo-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole |
Molecular Weight: | 257.05 |
Molecular Formula: | C7H8BrF3N2 |
Canonical SMILES: | CC1=C(C=NN1CCC(F)(F)F)Br |
InChI: | InChI=1S/C7H8BrF3N2/c1-5-6(8)4-12-13(5)3-2-7(9,10)11/h4H,2-3H2,1H3 |
InChI Key: | MFBZOLYWYSLQOQ-UHFFFAOYSA-N |
Boiling Point: | 232.4±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.62±0.1 g/cm3 (Predicted) |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.9823 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.9823 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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