1-Methyl-5-nitroimidazole-2-carbonitrile - CAS 1615-42-5
Catalog: |
BB011756 |
Product Name: |
1-Methyl-5-nitroimidazole-2-carbonitrile |
CAS: |
1615-42-5 |
Synonyms: |
1-methyl-5-nitro-2-imidazolecarbonitrile; 1-methyl-5-nitroimidazole-2-carbonitrile |
IUPAC Name: | 1-methyl-5-nitroimidazole-2-carbonitrile |
Description: | 1-Methyl-5-nitroimidazole-2-carbonitrile (CAS# 1615-42-5) is a useful research chemical. |
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Canonical SMILES: | CN1C(=CN=C1C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4N4O2/c1-8-4(2-6)7-3-5(8)9(10)11/h3H,1H3 |
InChI Key: | NRIASBGSBPWHER-UHFFFAOYSA-N |
LogP: | 0.72318 |
Publication Number | Title | Priority Date |
US-3989690-A | Thiazole derivatives | 19710619 |
US-4035390-A | Thiazole derivatives | 19710619 |
US-3740400-A | Conversion of heteroaromatic methyl compounds to nitriles | 19710201 |
US-3660419-A | Disubstituted-5-nitroimidazoles | 19700325 |
US-3682942-A | Preparation of 2-(2-amino-1,3,4-triadiazol-5-yl)-1-substituted-5-nitroimidazoles | 19700319 |
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: | -0.3 |
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