1-(3-Fluorophenyl)tetrazole - CAS 14210-80-1

Catalog:	BB009299
Product Name:	1-(3-Fluorophenyl)tetrazole
CAS:	14210-80-1
Synonyms:	1-(3-fluorophenyl)tetrazole; 1-(3-fluorophenyl)tetrazole

Technical Data

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Computed Properties

IUPAC Name:	1-(3-fluorophenyl)tetrazole
Description:	1-(3-Fluorophenyl)tetrazole (CAS# 14210-80-1 ) is a useful research chemical.
Molecular Weight:	164.14
Molecular Formula:	C7H5FN4
Canonical SMILES:	C1=CC(=CC(=C1)F)N2C=NN=N2
InChI:	InChI=1S/C7H5FN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H
InChI Key:	JVGBYSLFYOCKOE-UHFFFAOYSA-N
LogP:	0.80140

Publication Number	Title	Priority Date
WO-2012145361-A1	Modulators of the gpr119 receptor and the treatment of disorders related thereto	20110419
EP-1809620-A1	Novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors	20041104
EP-1809620-B1	Novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors	20041104
US-2007299110-A1	Novel Tetrazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate	20041104
WO-2006048771-A1	Novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors	20041104

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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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.04982434
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2