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

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

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

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Related Functional Groups

Oxadiazole/Thiadiazole

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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:	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