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5-bromo-6-fluoro-benzofuran-3-one - 97%, high purity , CAS No.1260007-95-1

COA

Grade & Purity:

≥97%

Cas Number: 1260007-95-1
Molecular Weight: 231.02
PubChem CID: 79020240

In stock

Item Number

B627883

Grouped product items
SKU	Size	Availability	Price
B627883-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90
B627883-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
B627883-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$329.90
B627883-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$528.90
B627883-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,636.90

Basic Description

Synonyms	5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-one \| 1260007-95-1 \| 5-bromo-6-fluoro-1-benzofuran-3-one \| AKOS017557435 \| 5-Bromo-6-fluorobenzofuran-3(2H)-one \| EN300-181823 \| F86231
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzofurans
Alternative Parents	Coumarans Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl fluorides Aryl bromides Oxacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Ketone - Oxacycle - Ether - Organofluoride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms 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	5-bromo-6-fluoro-1-benzofuran-3-one
INCHI	InChI=1S/C8H4BrFO2/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-2H,3H2
InChIKey	DMQWPYUQSULBST-UHFFFAOYSA-N
Smiles	C1C(=O)C2=CC(=C(C=C2O1)F)Br
Isomeric SMILES	C1C(=O)C2=CC(=C(C=C2O1)F)Br
PubChem CID	79020240
Molecular Weight	231.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.020 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	229.938 Da
Monoisotopic Mass	229.938 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	209.000
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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