3-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propanenitrile - CAS 1006461-11-5
Catalog: |
BB048943 |
Product Name: |
3-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propanenitrile |
CAS: |
1006461-11-5 |
Synonyms: |
3-[3-methyl-5-(trifluoromethyl)pyrazolyl]propanenitrile; 1H-Pyrazole-1-propanenitrile, 3-methyl-5-(trifluoromethyl)- |
IUPAC Name: | 3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile |
Description: | 3-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propanenitrile (CAS# 1006461-11-5 ) is a useful research chemical. |
Molecular Weight: | 203.16 |
Molecular Formula: | C8H8F3N3 |
Canonical SMILES: | CC1=NN(C(=C1)C(F)(F)F)CCC#N |
InChI: | InChI=1S/C8H8F3N3/c1-6-5-7(8(9,10)11)14(13-6)4-2-3-12/h5H,2,4H2,1H3 |
InChI Key: | ULNXSSWATIGXRM-UHFFFAOYSA-N |
Boiling Point: | 277.9±40.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.06703175 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.06703175 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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