4-(1H-Tetrazol-5-yl)phenol - CAS 51517-88-5

Catalog:	BB027473
Product Name:	4-(1H-Tetrazol-5-yl)phenol
CAS:	51517-88-5
Synonyms:	4-(2H-tetrazol-5-yl)phenol; 4-(2H-tetrazol-5-yl)phenol

Technical Data

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Computed Properties

IUPAC Name:	4-(2H-tetrazol-5-yl)phenol
Description:	4-(1H-Tetrazol-5-yl)phenol (CAS# 51517-88-5) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C7H6N4O
Canonical SMILES:	C1=CC(=CC=C1C2=NNN=N2)O
InChI:	InChI=1S/C7H6N4O/c12-6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChI Key:	QOYMNYWFHZFXHR-UHFFFAOYSA-N
Boiling Point:	416.78 °C at 760 mmHg
Density:	1.459 g/cm³
MDL:	MFCD05662709
LogP:	0.57230

Publication Number	Title	Priority Date
WO-2020208139-A1	Inhibitors of notch signalling pathway and use thereof in treatment of cancers	20190410
TW-202104166-A	Inhibitors of notch signalling pathway and use thereof in treatment of cancers	20190410
WO-2019241751-A1	Ssao inhibitors and uses thereof	20180615
CN-110914234-A	Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine	20170804
WO-2019024924-A1	AMINO COMPOUND FOR INHIBITING SSAO / VAP-1 AND ITS USE IN MEDICINE	20170804

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.05416083
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.05416083
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8