4-(1H-Tetrazol-5-yl)benzyl Alcohol - CAS 501126-02-9

Catalog:	BB026924
Product Name:	4-(1H-Tetrazol-5-yl)benzyl Alcohol
CAS:	501126-02-9
Synonyms:	[4-(2H-tetrazol-5-yl)phenyl]methanol; [4-(2H-tetrazol-5-yl)phenyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(2H-tetrazol-5-yl)phenyl]methanol
Description:	4-(1H-Tetrazol-5-yl)benzyl Alcohol (CAS# 501126-02-9 ) is a useful research chemical.
Molecular Weight:	176.18
Molecular Formula:	C8H8N4O
Canonical SMILES:	C1=CC(=CC=C1CO)C2=NNN=N2
InChI:	InChI=1S/C8H8N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-4,13H,5H2,(H,9,10,11,12)
InChI Key:	YRBYIQONKVQONA-UHFFFAOYSA-N
Boiling Point:	422.4 °C at 760 mmHg
Density:	1.392 g/cm³
MDL:	MFCD09909570
LogP:	0.35900

Publication Number	Title	Priority Date
US-2014206825-A1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
US-9724673-B2	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
US-2013225819-A1	Use of azides in synthesis	20100818
DE-60211530-T2	PYRROLOPYRIMIDINES AS A MEANS FOR INHIBITING CYSTONE PROTEASES	20010830
EP-1423391-A1	Pyrrolo pyrimidines as agents for the inhibition of cystein proteases	20010830

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.06981089
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.06981089
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2