5-(3,4-Dichlorophenyl)-1H-tetrazole - CAS 41421-27-6

Catalog:	BB024880
Product Name:	5-(3,4-Dichlorophenyl)-1H-tetrazole
CAS:	41421-27-6
Synonyms:	5-(3,4-dichlorophenyl)-2H-tetrazole; 5-(3,4-dichlorophenyl)-2H-tetrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(3,4-dichlorophenyl)-2H-tetrazole
Description:	5-(3,4-Dichlorophenyl)-1H-tetrazole (CAS# 41421-27-6) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C7H4Cl2N4
Canonical SMILES:	C1=CC(=C(C=C1C2=NNN=N2)Cl)Cl
InChI:	InChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:	SPKVZXBNWCKHGR-UHFFFAOYSA-N
Boiling Point:	397.3 °C at 760 mmHg
Density:	1.574 g/cm³
MDL:	MFCD01075710
LogP:	2.17350

Publication Number	Title	Priority Date
US-2010256109-A1	Azetidines As EP2 Antagonists	20071115
WO-2009063365-A1	Azetidines as ep2 antagonists	20071115
US-2006211739-A1	Use of selective P2X7 receptor antagonists	20050208
WO-2006086229-A1	The use of selective p2x7 receptor antagonists	20050208
US-2005065073-A1	Aza-peptide macrocyclic hepatitis C serine protease inhibitors	20030703

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	180
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