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4-Bromobenzo[c][1，2，5]oxadiazole - ≥97%, high purity , CAS No.35036-93-2

COA

Grade & Purity:

≥97%

Cas Number: 35036-93-2
Molecular Weight: 199
MDL number: MFCD18451264
PubChem CID: 607823

In stock

Item Number

B770364

Grouped product items
SKU	Size	Availability	Price
B770364-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$255.90
B770364-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
B770364-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$936.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal
Product Description	water-soluble

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxadiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxadiazoles
Alternative Parents	Benzenoids Aryl bromides Heteroaromatic compounds Furazans Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxadiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
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	4-bromo-2,1,3-benzoxadiazole
INCHI	InChI=1S/C6H3BrN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey	FXQKWDMHOOXMRV-UHFFFAOYSA-N
Smiles	C1=CC2=NON=C2C(=C1)Br
Isomeric SMILES	C1=CC2=NON=C2C(=C1)Br
PubChem CID	607823
Molecular Weight	199

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.000 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	197.943 Da
Monoisotopic Mass	197.943 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133.000
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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