2-(1-(Difluoromethyl)-1H-pyrazol-5-yl)acetonitrile - CAS 1260659-20-8
Catalog: |
BB051688 |
Product Name: |
2-(1-(Difluoromethyl)-1H-pyrazol-5-yl)acetonitrile |
CAS: |
1260659-20-8 |
Synonyms: |
[1-(difluoromethyl)-1H-pyrazol-5-yl]acetonitrile |
IUPAC Name: | 2-[2-(difluoromethyl)pyrazol-3-yl]acetonitrile |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H5F2N3 |
Canonical SMILES: | C1=C(N(N=C1)C(F)F)CC#N |
InChI: | InChI=1S/C6H5F2N3/c7-6(8)11-5(1-3-9)2-4-10-11/h2,4,6H,1H2 |
InChI Key: | OXFGRWAORDHNQB-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0451535 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0451535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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