1-Methyl-5-nitro-1H-pyrazole-3-carbonitrile - CAS 1245772-35-3
Catalog: |
BB051758 |
Product Name: |
1-Methyl-5-nitro-1H-pyrazole-3-carbonitrile |
CAS: |
1245772-35-3 |
Synonyms: |
1-Methyl-5-nitro-pyrazole-3-carbonitrile |
IUPAC Name: | 1-methyl-5-nitropyrazole-3-carbonitrile |
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Canonical SMILES: | CN1C(=CC(=N1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4N4O2/c1-8-5(9(10)11)2-4(3-6)7-8/h2H,1H3 |
InChI Key: | NYDYRJCDFQRWNG-UHFFFAOYSA-N |
Purity: | 95% |
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: | 0.4 |
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