5-(2-Fluorophenyl)tetrazole - CAS 50907-19-2
Catalog: |
BB027255 |
Product Name: |
5-(2-Fluorophenyl)tetrazole |
CAS: |
50907-19-2 |
Synonyms: |
5-(2-fluorophenyl)-2H-tetrazole; 5-(2-fluorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-fluorophenyl)-2H-tetrazole |
Description: | 5-(2-Fluorophenyl)tetrazole (CAS# 50907-19-2) is used in the synthetic preparation of novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors useful in treatment and prevention of CNS diseases and diseases-modulated by mGluR5 receptors. |
Molecular Weight: | 164.14 |
Molecular Formula: | C7H5FN4 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)F |
InChI: | InChI=1S/C7H5FN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
InChI Key: | ZRFGTMYIGSTCSZ-UHFFFAOYSA-N |
Boiling Point: | 331.8 ℃ at 760 mmHg |
Density: | 1.403 g/cm3 |
LogP: | 1.00580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012170867-A1 | Novel compounds as modulators of gpr-119 | 20110609 |
WO-2012064667-A2 | Treatment of addiction and impulse-control disorders using pde7 inhibitors | 20101108 |
US-2010256109-A1 | Azetidines As EP2 Antagonists | 20071115 |
WO-2009063365-A1 | Azetidines as ep2 antagonists | 20071115 |
EP-1809620-A1 | Novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20041104 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.04982434 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.04982434 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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