5-(4-Nitrophenyl)-2H-tetrazole - CAS 16687-60-8

Catalog:	BB012328
Product Name:	5-(4-Nitrophenyl)-2H-tetrazole
CAS:	16687-60-8
Synonyms:	5-(4-nitrophenyl)-2H-tetrazole; 5-(4-nitrophenyl)-2H-tetrazole

Technical Data

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Computed Properties

IUPAC Name:	5-(4-nitrophenyl)-2H-tetrazole
Description:	5-(4-Nitrophenyl)-2H-tetrazole (CAS# 16687-60-8) is a useful research chemical.
Molecular Weight:	191.15
Molecular Formula:	C7H5N5O2
Canonical SMILES:	C1=CC(=CC=C1C2=NNN=N2)[N+](=O)[O-]
InChI:	InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChI Key:	MIUOBAHGBPSRKY-UHFFFAOYSA-N
Boiling Point:	435.3 °C at 760 mmHg
Density:	1.534 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00068729
LogP:	1.29810

Publication Number	Title	Priority Date
WO-2021194999-A1	Monoclonal antibodies to chemically-modified nucleic acids and uses thereof	20200323
US-2021238213-A1	SOLID-PHASE SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING N6-(2-DEOXY-ALPHA,BETA-DERYTHROPENTOFURANOSYL)-2,6-DIAMINO-4-HYDROXY-5-FORMAMIDOPYRIMIDINE (Fapy.dG)	20200128
WO-2021119034-A1	RNAi CONSTRUCTS AND METHODS FOR INHIBITING LPA EXPRESSION	20191209
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
CN-109503505-B	Synthesis method of 5-substituted tetrazole compound	20190109

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Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.04432442
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.04432442
Rotatable Bond Count:	1
Topological Polar Surface Area:	100
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1