3-(4-bromophenyl)-1,2,4-oxadiazole - CAS 16013-07-3

Catalog:	BB011602
Product Name:	3-(4-bromophenyl)-1,2,4-oxadiazole
CAS:	16013-07-3
Synonyms:	3-(4-bromophenyl)-1,2,4-oxadiazole; 3-(4-bromophenyl)-1,2,4-oxadiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-bromophenyl)-1,2,4-oxadiazole
Description:	3-(4-bromophenyl)-1,2,4-oxadiazole (CAS# 16013-07-3) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C8H5BrN2O
Canonical SMILES:	C1=CC(=CC=C1C2=NOC=N2)Br
InChI:	InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
InChI Key:	OOQNOWMRFJKXTC-UHFFFAOYSA-N
Boiling Point:	303.1 °C at 760 mmHg
Purity:	98 %
Density:	1.605 g/cm³
LogP:	2.49910

Publication Number	Title	Priority Date
KR-20190110740-A	Novel aryl or heteroaryl triazolone derivatives or its salt and pharmaceutical compositions comprising the same	20180321
TW-202003476-A	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321
US-10562865-B2	Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321
US-2019308944-A1	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321
WO-2019180644-A1	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321

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Related Functional Groups

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.95853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5