4-(Imidazol-2-yl)benzonitrile - CAS 98298-49-8
Catalog: |
BB042137 |
Product Name: |
4-(Imidazol-2-yl)benzonitrile |
CAS: |
98298-49-8 |
Synonyms: |
4-(1H-imidazol-2-yl)benzonitrile; 4-(1H-imidazol-2-yl)benzonitrile |
IUPAC Name: | 4-(1H-imidazol-2-yl)benzonitrile |
Description: | 4-(Imidazol-2-yl)benzonitrile (CAS# 98298-49-8) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C10H7N3 |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=NC=CN2 |
InChI: | InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,(H,12,13) |
InChI Key: | ISJCKCQDMBPKML-UHFFFAOYSA-N |
Boiling Point: | 423.8 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.94838 |
Publication Number | Title | Priority Date |
CA-3019014-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
EP-3442948-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
JP-2019511527-A | PPAR agonists, compounds, pharmaceutical compositions and methods of use thereof | 20160413 |
KR-20180133435-A | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
WO-2017180818-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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