3-(4-Chlorophenyl)-1,2,5-oxadiazole - CAS 10349-08-3

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

Catalog:	BB001151
Product Name:	3-(4-Chlorophenyl)-1,2,5-oxadiazole
CAS:	10349-08-3
Synonyms:	3-(4-chlorophenyl)-1,2,5-oxadiazole; 3-(4-chlorophenyl)-1,2,5-oxadiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-chlorophenyl)-1,2,5-oxadiazole
Description:	3-(4-Chlorophenyl)-1,2,5-oxadiazole (CAS# 10349-08-3 ) is a useful research chemical.
Molecular Weight:	180.59
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC(=CC=C1C2=NON=C2)Cl
InChI:	InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H
InChI Key:	PFQKBMUSFZCBOO-UHFFFAOYSA-N
Boiling Point:	140 °C (10 mmHg)
LogP:	2.39000

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Related Functional Groups

Oxadiazole/Thiadiazole

[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-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
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

Publication Number	Title	Priority Date
EP-1613610-A1	Benzo 1,2,5 oxadiazoles and benzo 1,2,5 thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers	20030404
EP-1613610-B1	Benzo 1,2,5 oxadiazoles and benzo 1,2,5 thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers	20030404
US-2006093551-A1	Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers	20030404
US-7632851-B2	Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers	20030404
WO-2004087684-A1	Benzo[1,2,5]oxadiazoles and benzo [1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers	20030404

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0090405
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2