6-Iodobenzimidazole - CAS 78597-27-0
Catalog: |
BB036202 |
Product Name: |
6-Iodobenzimidazole |
CAS: |
78597-27-0 |
Synonyms: |
6-iodo-1H-benzimidazole; 6-iodo-1H-benzimidazole |
IUPAC Name: | 6-iodo-1H-benzimidazole |
Description: | 6-Iodobenzimidazole (CAS# 78597-27-0) is a useful research chemical. |
Molecular Weight: | 244.03 |
Molecular Formula: | C7H5IN2 |
Canonical SMILES: | C1=CC2=C(C=C1I)NC=N2 |
InChI: | InChI=1S/C7H5IN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10) |
InChI Key: | NQDPBRYGCUYBJM-UHFFFAOYSA-N |
Boiling Point: | 438.5 ℃ at 760 mmHg |
Density: | 2.082 g/cm3 |
Appearance: | Solid |
LogP: | 2.16750 |
Publication Number | Title | Priority Date |
WO-2019013703-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | 20170714 |
JP-WO2017213247-A1 | Non-invasive diagnostic imaging agent for heart disease | 20160610 |
WO-2017213247-A1 | Non-invasive diagnostic imaging agent for heart disease | 20160610 |
EP-3288945-B1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 20150429 |
EP-3467930-A1 | Nonaqueous electrolyte and nonaqueous secondary battery | 20150331 |
PMID | Publication Date | Title | Journal |
12027686 | 20020531 | Stereocontrolled synthesis of heterocyclic C-nucleosides. Protecting group effect and molecular modeling studies | The Journal of organic chemistry |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.94975 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.94975 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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