(4-Chloro-1-ethyl-1H-pyrazol-3-yl)acetonitrile - CAS 1310379-32-8
Catalog: |
BB051977 |
Product Name: |
(4-Chloro-1-ethyl-1H-pyrazol-3-yl)acetonitrile |
CAS: |
1310379-32-8 |
Synonyms: |
2-(4-Chloro-1-ethyl-1H-pyrazol-3-yl)acetonitrile |
IUPAC Name: | 2-(4-chloro-1-ethylpyrazol-3-yl)acetonitrile |
Molecular Weight: | 169.61 |
Molecular Formula: | C7H8ClN3 |
Canonical SMILES: | CCN1C=C(C(=N1)CC#N)Cl |
InChI: | InChI=1S/C7H8ClN3/c1-2-11-5-6(8)7(10-11)3-4-9/h5H,2-3H2,1H3 |
InChI Key: | BLDFUEFGAYTQIW-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: | 169.040675 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.040675 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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