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2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole - 95%, high purity , CAS No.957065-95-1

COA

Grade & Purity:

≥95%

Cas Number: 957065-95-1
Molecular Weight: 267.1
PubChem CID: 26966991

In stock

Item Number

B188800

Grouped product items
SKU	Size	Availability	Price	Qty
B188800-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$481.90

Basic Description

Synonyms	2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole \| 957065-95-1 \| DTXSID20650324 \| MFCD09878393 \| AKOS011362381 \| BS-22740 \| CS-0211845 \| EN300-1178452 \| A858879
Specifications & Purity	≥95%
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-propyl-1,3,4-oxadiazole
INCHI	InChI=1S/C11H11BrN2O/c1-2-4-10-13-14-11(15-10)8-5-3-6-9(12)7-8/h3,5-7H,2,4H2,1H3
InChIKey	MOGZBGQHSPXLMW-UHFFFAOYSA-N
Smiles	CCCC1=NN=C(O1)C2=CC(=CC=C2)Br
Isomeric SMILES	CCCC1=NN=C(O1)C2=CC(=CC=C2)Br
PubChem CID	26966991
Molecular Weight	267.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	267.120 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	266.005 Da
Monoisotopic Mass	266.005 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203.000
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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