5-(4-Methoxyphenyl)-2H-tetrazole - CAS 6926-51-8

Catalog:	BB033754
Product Name:	5-(4-Methoxyphenyl)-2H-tetrazole
CAS:	6926-51-8
Synonyms:	5-(4-methoxyphenyl)-2H-tetrazole; 5-(4-methoxyphenyl)-2H-tetrazole

Technical Data

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Computed Properties

IUPAC Name:	5-(4-methoxyphenyl)-2H-tetrazole
Description:	5-(4-Methoxyphenyl)-2H-tetrazole (CAS# 6926-51-8) is a useful research chemical.
Molecular Weight:	176.18
Molecular Formula:	C8H8N4O
Canonical SMILES:	COC1=CC=C(C=C1)C2=NNN=N2
InChI:	InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChI Key:	KZGGHPBTKGLWQL-UHFFFAOYSA-N
Boiling Point:	365.2 °C at 760 mmHg
Density:	1.288 g/cm³
Appearance:	White powder
MDL:	MFCD00991875
LogP:	0.87530

Publication Number	Title	Priority Date
CN-109503505-A	A kind of synthetic method of 5- substituted tetrazole class compound	20190109
CN-109503505-B	Synthesis method of 5-substituted tetrazole compound	20190109
CN-109666950-A	A kind of method of electrochemistry formated tetrazole compound	20181122
US-10577327-B2	Pyridine based ionic fluoride for catalyzing indole and tetrazole formation	20180611
US-9643169-B1	Process for the preparation of quinoline based ionic fluoride salts (QUFS)	20160519

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Related Functional Groups

Triazole/Tetrazole

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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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.06981089
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1