4-Nitroimidazole-5-carbonitrile - CAS 208510-03-6
Catalog: |
BB016349 |
Product Name: |
4-Nitroimidazole-5-carbonitrile |
CAS: |
208510-03-6 |
Synonyms: |
5-nitro-1H-imidazole-4-carbonitrile; 5-nitro-1H-imidazole-4-carbonitrile |
IUPAC Name: | 5-nitro-1H-imidazole-4-carbonitrile |
Description: | 4-Nitroimidazole-5-carbonitrile (CAS# 208510-03-6) is a useful research chemical. |
Molecular Weight: | 138.08 |
Molecular Formula: | C4H2N4O2 |
Canonical SMILES: | C1=NC(=C(N1)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C4H2N4O2/c5-1-3-4(8(9)10)7-2-6-3/h2H,(H,6,7) |
InChI Key: | UNHKJVQFVZYKRW-UHFFFAOYSA-N |
LogP: | 0.71278 |
Publication Number | Title | Priority Date |
EP-3562797-A2 | New generation primary explosive | 20161228 |
WO-2018203863-A2 | New generation primary explosive | 20161228 |
EP-3562797-B1 | New generation primary explosive | 20161228 |
US-2003157725-A1 | Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity | 20010904 |
DE-3821884-A1 | METHOD FOR PRODUCING 5-CYANO-4-NITROIMIDAZOLES | 19880629 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.01777532 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.01777532 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 98.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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