5-(2-Hydroxyphenyl)-1H-tetrazole - CAS 51449-77-5

Catalog:	BB027444
Product Name:	5-(2-Hydroxyphenyl)-1H-tetrazole
CAS:	51449-77-5
Synonyms:	2-(2H-tetrazol-5-yl)phenol; 2-(2H-tetrazol-5-yl)phenol

Technical Data

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Computed Properties

IUPAC Name:	2-(2H-tetrazol-5-yl)phenol
Description:	5-(2-Hydroxyphenyl)-1H-tetrazole (CAS# 51449-77-5) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C7H6N4O
Canonical SMILES:	C1=CC=C(C(=C1)C2=NNN=N2)O
InChI:	InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChI Key:	FPUQYVARGFDCGZ-UHFFFAOYSA-N
Boiling Point:	391.8 °C at 760 mmHg
Density:	1.458 g/cm³
Appearance:	Cream powder
MDL:	MFCD09037787
LogP:	0.57230

Publication Number	Title	Priority Date
US-10188754-B2	Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI)	20130516
US-2016082132-A1	Compositions and methods for chemical exchange saturation transfer (cest) based magnetic resonance imaging (mri)	20130516
WO-2014186737-A1	Compositions and methods for chemical exchange saturation transfer (cest) based magnetic resonance imaging (mri)	20130516
EP-2945950-B1	Isomannide derivatives as inhibitors of soluble epoxide hydrolase	20130117
JP-2011506313-A	Nonmetallocene olefin polymerization catalyst containing tetrazole group and olefin polymerization method using the same	20071205

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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:	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