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methyl 7-bromo-1-benzofuran-5-carboxylate - 97%, high purity , CAS No.286836-79-1

COA

Grade & Purity:

≥97%

Cas Number: 286836-79-1
Molecular Weight: 255.07
PubChem CID: 22144801

In stock

Item Number

M633525

Grouped product items
SKU	Size	Availability	Price
M633525-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$77.90
M633525-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90
M633525-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$251.90
M633525-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90

Basic Description

Synonyms	methyl 7-bromo-1-benzofuran-5-carboxylate \| 286836-79-1 \| SCHEMBL5987396 \| 5-methoxycarbonyl-7-bromobenzofuran \| MFCD29904881 \| 5-(methoxycarbonyl)-7-bromobenzofuran \| AKOS037644774 \| methyl 7-bromobenzofuran-5-carboxylate \| AS-54384 \| methyl7-bromo-1-ben
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 3-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	3-halobenzoic acids and derivatives
Alternative Parents	Benzofurans Aryl bromides Methyl esters Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-halobenzoic acid or derivatives - Benzofuran - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the 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	methyl 7-bromo-1-benzofuran-5-carboxylate
INCHI	InChI=1S/C10H7BrO3/c1-13-10(12)7-4-6-2-3-14-9(6)8(11)5-7/h2-5H,1H3
InChIKey	QQFMMIJEJMQKOY-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C2C(=C1)C=CO2)Br
Isomeric SMILES	COC(=O)C1=CC(=C2C(=C1)C=CO2)Br
PubChem CID	22144801
Molecular Weight	255.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.060 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	253.958 Da
Monoisotopic Mass	253.958 Da
Topological Polar Surface Area	39.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
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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