3-(2H-Tetrazol-5-yl)benzonitrile - CAS 50907-33-0
Catalog: |
BB027261 |
Product Name: |
3-(2H-Tetrazol-5-yl)benzonitrile |
CAS: |
50907-33-0 |
Synonyms: |
3-(2H-tetrazol-5-yl)benzonitrile; 3-(2H-tetrazol-5-yl)benzonitrile |
IUPAC Name: | 3-(2H-tetrazol-5-yl)benzonitrile |
Description: | 3-(2H-Tetrazol-5-yl)benzonitrile (CAS# 50907-33-0 ) is a useful research chemical. |
Molecular Weight: | 171.16 |
Molecular Formula: | C8H5N5 |
Canonical SMILES: | C1=CC(=CC(=C1)C2=NNN=N2)C#N |
InChI: | InChI=1S/C8H5N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13) |
InChI Key: | RFUUHOIIHXKYOQ-UHFFFAOYSA-N |
LogP: | 0.73838 |
Publication Number | Title | Priority Date |
WO-2004030637-A2 | Treatment of obesity and other disorders associated with excessive food intake | 20021001 |
CA-2462289-C | Heteroaryl substituted tetrazole modulators of metabotropic glutamate receptor-5 | 20011004 |
EP-1434773-A2 | Heteroaryl substituted tetrazole modulators of metabotropic glutamate receptor-5 | 20011004 |
EP-1434773-A4 | METABOTROPIC GLUTAMATE RECEPTOR-5 HETEROARYLSUBSTITUTED TETRAZOL MODULATORS | 20011004 |
EP-1434773-B1 | Heteroaryl substituted tetrazole modulators of metabotropic glutamate receptor-5 | 20011004 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.05449518 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.05449518 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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