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5-Fluorobenzothiophene-2-Boronic Acid - ≥97%, high purity , CAS No.501944-42-9

COA

Grade & Purity:

≥97%

Cas Number: 501944-42-9
Molecular Weight: 196.01
PubChem CID: 53234193

In stock

Item Number

F733292

Grouped product items
SKU	Size	Availability	Price	Qty
F733292-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,121.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	2,3,5-trisubstituted thiophenes Benzenoids Aryl fluorides Heteroaromatic compounds Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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-fluoro-1-benzothiophen-2-yl)boronic acid
INCHI	InChI=1S/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChIKey	DGEAJPZHUYFBGZ-UHFFFAOYSA-N
Smiles	B(C1=CC2=C(S1)C=CC(=C2)F)(O)O
Isomeric SMILES	B(C1=CC2=C(S1)C=CC(=C2)F)(O)O
PubChem CID	53234193
Molecular Weight	196.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.010 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.017 Da
Monoisotopic Mass	196.017 Da
Topological Polar Surface Area	68.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193.000
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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