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3-(2-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole - 96%, high purity , CAS No.1000339-25-2

COA

Grade & Purity:

≥96%

Cas Number: 1000339-25-2
Molecular Weight: 319.1
PubChem CID: 26985682

In stock

Item Number

B178642

Grouped product items
SKU	Size	Availability	Price
B178642-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$588.90
B178642-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,560.90
B178642-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,219.90

Basic Description

Synonyms	3-(2-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole \| 1000339-25-2 \| DTXSID60650469 \| MFCD09878375 \| AKOS015835138 \| BS-18994 \| CS-0205793 \| A897770 \| 1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(2-fluorophenyl)-
Specifications & Purity	≥96%
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	Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-oxadiazole - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organofluoride - 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	3-(2-bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
INCHI	InChI=1S/C14H8BrFN2O/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKey	BJEBCCKIVRWKGV-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=CC=C3Br)F
Isomeric SMILES	C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=CC=C3Br)F
PubChem CID	26985682
Molecular Weight	319.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	319.130 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	317.98 Da
Monoisotopic Mass	317.98 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	307.000
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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