4-Bromo-1-ethyl-1H-pyrazole-5-carbonitrile - CAS 1713477-25-8
Catalog: |
BB051560 |
Product Name: |
4-Bromo-1-ethyl-1H-pyrazole-5-carbonitrile |
CAS: |
1713477-25-8 |
Synonyms: |
4-Bromo-2-ethyl-2H-pyrazole-3-carbonitrile; 1H-Pyrazole-5-carbonitrile, 4-bromo-1-ethyl- |
IUPAC Name: | 4-bromo-2-ethylpyrazole-3-carbonitrile |
Molecular Weight: | 200.04 |
Molecular Formula: | C6H6BrN3 |
Canonical SMILES: | CCN1C(=C(C=N1)Br)C#N |
InChI: | InChI=1S/C6H6BrN3/c1-2-10-6(3-8)5(7)4-9-10/h4H,2H2,1H3 |
InChI Key: | BGBGGGTWYSOAKE-UHFFFAOYSA-N |
Boiling Point: | 314.1±27.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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