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5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole - 96%, high purity , CAS No.861238-44-0

COA

Grade & Purity:

≥96%

Cas Number: 861238-44-0
Molecular Weight: 301.7
PubChem CID: 926652

In stock

Item Number

C187210

Grouped product items
SKU	Size	Availability	Price	Qty
C187210-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Discover 5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole by Aladdin Scientific in 96% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole \| 861238-44-0 \| SCHEMBL16592585 \| DTXSID40358956 \| MFCD03885006 \| STK321537 \| AKOS003338767 \| BS-23288 \| CS-0213501 \| A863302
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Oxadiazoles
      - Level5 1,2,4-oxadiazoles
        Level6 Phenyloxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxadiazoles
Intermediate Tree Nodes	1,2,4-oxadiazoles
Direct Parent	Phenyloxadiazoles
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-oxadiazole - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
INCHI	InChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14-16-13(17-21-14)9-5-7-10(8-6-9)18(19)20/h1-8H
InChIKey	VAJPOGWNCSNRAY-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])Cl
Isomeric SMILES	C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])Cl
Molecular Weight	301.7
Reaxy-Rn	36894066
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36894066&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	301.680 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	301.025 Da
Monoisotopic Mass	301.025 Da
Topological Polar Surface Area	84.700 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	371.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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