3-(4-Chloro-3-methylpyrazol-1-yl)propanenitrile - CAS 1006508-15-1
Catalog: |
BB042930 |
Product Name: |
3-(4-Chloro-3-methylpyrazol-1-yl)propanenitrile |
CAS: |
1006508-15-1 |
Synonyms: |
3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propanenitrile; 3-(4-Chloro-3-methylpyrazolyl)propanenitrile; SBB026862; STK510273 |
IUPAC Name: | 3-(4-chloro-3-methylpyrazol-1-yl)propanenitrile |
Description: | 3-(4-Chloro-3-methylpyrazol-1-yl)propanenitrile (CAS# 1006508-15-1 ) is a useful research chemical. |
Molecular Weight: | 169.61 |
Molecular Formula: | C7H8ClN3 |
Canonical SMILES: | CC1=NN(C=C1Cl)CCC#N |
InChI: | InChI=1S/C7H8ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2,4H2,1H3 |
InChI Key: | BRWAQWFTWDXOFM-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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