1-Methyl-6-nitrobenzimidazole - CAS 5381-79-3
Catalog: |
BB028356 |
Product Name: |
1-Methyl-6-nitrobenzimidazole |
CAS: |
5381-79-3 |
Synonyms: |
1-methyl-6-nitrobenzimidazole; 1-methyl-6-nitrobenzimidazole |
IUPAC Name: | 1-methyl-6-nitrobenzimidazole |
Description: | 1-Methyl-6-nitrobenzimidazole (CAS# 5381-79-3) is a useful research chemical compound. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CN1C=NC2=C1C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7N3O2/c1-10-5-9-7-3-2-6(11(12)13)4-8(7)10/h2-5H,1H3 |
InChI Key: | HVZQEZDKCBTTTL-UHFFFAOYSA-N |
Boiling Point: | 358.6 °C at 760 mmHg |
Density: | 1.42 g/cm3 |
LogP: | 2.00470 |
Publication Number | Title | Priority Date |
WO-2017153952-A1 | 5-sulfamoyl-2-hydroxybenzamide derivatives | 20160310 |
WO-2017155816-A1 | Quinazoline compounds useful as m1 receptor positive allosteric modulators | 20160309 |
US-2018062213-A1 | Nonaqueous Electrolyte and Nonaqueous Secondary Battery | 20150331 |
CN-106879256-A | 2 aminobenzimidazole derivatives and its application as 5 LOXs and/or prostaglandin-e synthetase inhibitors | 20140731 |
BR-112014031556-B1 | bendamustine derivatives and related compounds, and their medical use in cancer therapy | 20120619 |
PMID | Publication Date | Title | Journal |
21202065 | 20080305 | 1-Methyl-6-nitro-1H-benzimidazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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