3-Cyclopropyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole - CAS 1883289-97-1
Catalog: |
BB051502 |
Product Name: |
3-Cyclopropyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole |
CAS: |
1883289-97-1 |
Synonyms: |
1H-Pyrazole, 3-cyclopropyl-1-(3,3,3-trifluoropropyl)- |
IUPAC Name: | 3-cyclopropyl-1-(3,3,3-trifluoropropyl)pyrazole |
Molecular Weight: | 204.19 |
Molecular Formula: | C9H11F3N2 |
Canonical SMILES: | C1CC1C2=NN(C=C2)CCC(F)(F)F |
InChI: | InChI=1S/C9H11F3N2/c10-9(11,12)4-6-14-5-3-8(13-14)7-1-2-7/h3,5,7H,1-2,4,6H2 |
InChI Key: | NUJTZIYYUIRHJV-UHFFFAOYSA-N |
Boiling Point: | 234.3±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.36±0.1 g/cm3 (Predicted) |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08743285 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08743285 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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