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5-(Chloromethyl)-3-(3-chlorophenyl)-1，2，4-oxadiazole - ≥95%, high purity , CAS No.51802-78-9

COA

Grade & Purity:

≥95%

Cas Number: 51802-78-9
Molecular Weight: 229.06
PubChem CID: 4962557

In stock

Item Number

O709405

Grouped product items
SKU	Size	Availability	Price
O709405-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
O709405-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
O709405-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

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	Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-oxadiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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-(chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
INCHI	InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5H2
InChIKey	TWFGGYWZWDPXGT-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl
Isomeric SMILES	C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl
PubChem CID	4962557
Molecular Weight	229.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.060 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	227.986 Da
Monoisotopic Mass	227.986 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	194.000
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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