2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole - CAS 21510-43-0

Name: 2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016928
Product Name:	2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CAS:	21510-43-0
Synonyms:	2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole
Description:	2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole (CAS# 21510-43-0) is a useful research chemical.
Molecular Weight:	301.14
Molecular Formula:	C14H9BrN2O
Canonical SMILES:	C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br
InChI:	InChI=1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChI Key:	CNLVYZSUMYQALH-UHFFFAOYSA-N
Boiling Point:	418.7 °C at 760 mmHg
Purity:	96 %
Density:	1.465 g/cm³
Solubility:	Insoluble in water
Appearance:	White crystalline powder
MDL:	MFCD00050997
LogP:	4.16610

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

Publication Number	Title	Priority Date
WO-2020130456-A1	Compound for organic electric element, organic electric element using same, and electronic device comprising organic electric element	20181221
KR-20200077833-A	Compound for organic electric element, organic electric element comprising the same and electronic device thereof	20181221
WO-2018131877-A1	Delayed fluorescence compound, organic electric element using same, and electronic device using same	20170112
CN-106467531-A	A kind of compound with nitrogenous five-ring heterocycles as core and its application	20160819
CN-106467532-A	A kind of compound with nitrogenous five-ring heterocycles as core and its application in OLED	20160819

Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.98983
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	299.98983
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8