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5-Cyclohexyl-3-(4-nitrophenyl)-1,2,4-oxadiazole - 98%, high purity , CAS No.54608-93-4

COA

Grade & Purity:

≥98%

Cas Number: 54608-93-4
Molecular Weight: 273.3
PubChem CID: 2270232

In stock

Item Number

C185130

Grouped product items
SKU	Size	Availability	Price	Qty
C185130-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90

Discover 5-Cyclohexyl-3-(4-nitrophenyl)-1,2,4-oxadiazole by Aladdin Scientific in 98% for only $484.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-cyclohexyl-3-(4-nitrophenyl)-1,2,4-oxadiazole \| 54608-93-4 \| Cambridge id 6149462 \| Oprea1_058645 \| DTXSID90367492 \| MFCD01933303 \| STK140362 \| AKOS002082545 \| BS-23391 \| CS-0210309 \| A870410 \| SR-01000552260 \| SR-01000552260-1
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-oxadiazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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-cyclohexyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
INCHI	InChI=1S/C14H15N3O3/c18-17(19)12-8-6-10(7-9-12)13-15-14(20-16-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKey	QCKSSCILOJWUDG-UHFFFAOYSA-N
Smiles	C1CCC(CC1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES	C1CCC(CC1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]
Molecular Weight	273.3
Reaxy-Rn	622599
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=622599&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	273.290 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	273.111 Da
Monoisotopic Mass	273.111 Da
Topological Polar Surface Area	84.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	333.000
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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