1-Methyl-3-nitro-1H-pyrazole-4-carbonitrile - CAS 39205-64-6
Catalog: |
BB052120 |
Product Name: |
1-Methyl-3-nitro-1H-pyrazole-4-carbonitrile |
CAS: |
39205-64-6 |
Synonyms: |
1-methyl-3-nitro-4-cyanopyrazole; 1-methyl-3-nitro-4-pyrazolecarbonitrile |
IUPAC Name: | 1-methyl-3-nitropyrazole-4-carbonitrile |
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Canonical SMILES: | CN1C=C(C(=N1)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C5H4N4O2/c1-8-3-4(2-6)5(7-8)9(10)11/h3H,1H3 |
InChI Key: | NJBDBENRPJEIHN-UHFFFAOYSA-N |
Boiling Point: | 360.8±27.0 °C at 760 mmHg |
Melting Point: | 92°C |
Density: | 1.50±0.1 g/cm3 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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