3-(Difluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole - CAS 938022-30-1
Catalog: |
BB048964 |
Product Name: |
3-(Difluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole |
CAS: |
938022-30-1 |
Synonyms: |
3-(difluoromethyl)-4,5,6-trihydrocyclopenta[2,1-d]pyrazole; Cyclopenta[c]pyrazole, 3-(difluoromethyl)-1,4,5,6-tetrahydro-; 3-(Difluoromethyl)-1,4,5,6-tetrahydrocyclopentapyrazole |
IUPAC Name: | 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole |
Description: | 3-(Difluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole (CAS# 938022-30-1 ) is a useful research chemical. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H8F2N2 |
Canonical SMILES: | C1CC2=C(C1)NN=C2C(F)F |
InChI: | InChI=1S/C7H8F2N2/c8-7(9)6-4-2-1-3-5(4)10-11-6/h7H,1-3H2,(H,10,11) |
InChI Key: | MKIHPDJBJQHUDL-UHFFFAOYSA-N |
Boiling Point: | 276.3±35.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.06555459 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.06555459 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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