1-(2,2-Difluoroethyl)pyrazole-3-carbonitrile - CAS 1245773-06-1
Catalog: |
BB043014 |
Product Name: |
1-(2,2-Difluoroethyl)pyrazole-3-carbonitrile |
CAS: |
1245773-06-1 |
Synonyms: |
1-(2,2-Difluoroethyl)-1H-pyrazole-3-carbonitrile; SCHEMBL17395216; SBB073461 |
IUPAC Name: | 1-(2,2-difluoroethyl)pyrazole-3-carbonitrile |
Description: | 1-(2,2-Difluoroethyl)pyrazole-3-carbonitrile (CAS# 1245773-06-1 ) is a useful research chemical. |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H5F2N3 |
Canonical SMILES: | C1=CN(N=C1C#N)CC(F)F |
InChI: | InChI=1S/C6H5F2N3/c7-6(8)4-11-2-1-5(3-9)10-11/h1-2,6H,4H2 |
InChI Key: | VFDXINQYLMGHFR-UHFFFAOYSA-N |
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: | 1.1 |
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