5-(3,5-Dichlorophenyl)-2H-tetrazole - CAS 92712-49-7

Catalog:	BB040602
Product Name:	5-(3,5-Dichlorophenyl)-2H-tetrazole
CAS:	92712-49-7
Synonyms:	5-(3,5-dichlorophenyl)-2H-tetrazole; 5-(3,5-dichlorophenyl)-2H-tetrazole

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Computed Properties

IUPAC Name:	5-(3,5-dichlorophenyl)-2H-tetrazole
Description:	5-(3,5-Dichlorophenyl)-2H-tetrazole (CAS# 92712-49-7 ) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C7H4Cl2N4
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)C2=NNN=N2
InChI:	InChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)3-5)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:	VCYMSAGOTYBIHM-UHFFFAOYSA-N
Boiling Point:	410.2 °C at 760 mmHg
Density:	1.574 g/cm³
MDL:	MFCD02093955
LogP:	2.17350

Publication Number	Title	Priority Date
EP-2461811-A1	Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv	20090805
US-2011129443-A1	Macrocyclic serine protease inhibitors	20090805
WO-2011017389-A1	Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv	20090805
EP-2417134-A1	Macrocyclic serine protease inhibitors	20090408
US-2010260710-A1	Macrocyclic serine protease inhibitors	20090408

PMID	Publication Date	Title	Journal
22162199	20120102	Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors	ChemMedChem

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.9813015
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.9813015
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4