4-Iodo-1-methyl-3-nitro-1H-pyrazole-5-carbonitrile - CAS 1354703-49-3
Catalog: |
BB052078 |
Product Name: |
4-Iodo-1-methyl-3-nitro-1H-pyrazole-5-carbonitrile |
CAS: |
1354703-49-3 |
Synonyms: |
4-iodo-1-methyl-3-nitropyrazole-5-carbonitrile |
IUPAC Name: | 4-iodo-2-methyl-5-nitropyrazole-3-carbonitrile |
Molecular Weight: | 278.01 |
Molecular Formula: | C5H3IN4O2 |
Canonical SMILES: | CN1C(=C(C(=N1)[N+](=O)[O-])I)C#N |
InChI: | InChI=1S/C5H3IN4O2/c1-9-3(2-7)4(6)5(8-9)10(11)12/h1H3 |
InChI Key: | GLTSCIPAEIARTF-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.93007 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.93007 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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