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Methyl 6-bromobenzo[d]isoxazole-3-carboxylate - 97%, high purity , CAS No.1123169-23-2

COA

Grade & Purity:

≥97%

Cas Number: 1123169-23-2
Molecular Weight: 256.05
PubChem CID: 71463788

In stock

Item Number

M189725

Grouped product items
SKU	Size	Availability	Price	Qty
M189725-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M189725-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90

Discover Methyl 6-bromobenzo[d]isoxazole-3-carboxylate by Aladdin Scientific in 97% for only $13.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 6-bromobenzo[d]isoxazole-3-carboxylate \| 1123169-23-2 \| methyl 6-bromo-1,2-benzoxazole-3-carboxylate \| 6-Bromo-benzo[d]isoxazole-3-carboxylic acid methyl ester \| MFCD11858439 \| Methyl6-bromobenzo[d]isoxazole-3-carboxylate \| SCHEMBL19793132 \| DTXSID80855696 \| AKOS0
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzisoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzisoxazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzisoxazoles
Alternative Parents	Benzenoids Aryl bromides Methyl esters Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzisoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen 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	methyl 6-bromo-1,2-benzoxazole-3-carboxylate
INCHI	InChI=1S/C9H6BrNO3/c1-13-9(12)8-6-3-2-5(10)4-7(6)14-11-8/h2-4H,1H3
InChIKey	OAHWOZBMLUMQBM-UHFFFAOYSA-N
Smiles	COC(=O)C1=NOC2=C1C=CC(=C2)Br
Isomeric SMILES	COC(=O)C1=NOC2=C1C=CC(=C2)Br
Molecular Weight	256.05
Reaxy-Rn	29858211
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29858211&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	256.050 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	254.953 Da
Monoisotopic Mass	254.953 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236.000
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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