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2-(3-Bromophenyl)-5-tert-butyl-1,3,4-oxadiazole - 96%, high purity , CAS No.957065-96-2

COA

Grade & Purity:

≥96%

Cas Number: 957065-96-2
Molecular Weight: 281.1
PubChem CID: 26966993

In stock

Item Number

B188801

Grouped product items
SKU	Size	Availability	Price
B188801-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$56.90
B188801-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$234.90
B188801-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,053.90

Basic Description

Synonyms	957065-96-2 \| 2-(3-Bromophenyl)-5-(tert-butyl)-1,3,4-oxadiazole \| 2-(3-Bromophenyl)-5-tert-butyl-1,3,4-oxadiazole \| SCHEMBL2465849 \| DTXSID80650325 \| MFCD09878391 \| AKOS011354930 \| BS-33386 \| CS-0205768 \| Boc-(S)-3-Amino-4-(1-naphenyl)butanoicacid
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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	2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
INCHI	InChI=1S/C12H13BrN2O/c1-12(2,3)11-15-14-10(16-11)8-5-4-6-9(13)7-8/h4-7H,1-3H3
InChIKey	PJHHEWRHJXZUJR-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=NN=C(O1)C2=CC(=CC=C2)Br
Isomeric SMILES	CC(C)(C)C1=NN=C(O1)C2=CC(=CC=C2)Br
Molecular Weight	281.1
Reaxy-Rn	22847871
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22847871&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	281.150 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	280.021 Da
Monoisotopic Mass	280.021 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242.000
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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