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(3-Fluoro-4-((4-methylpiperidin-1-yl)sulfonyl)phenyl)boronic aci - ≥95%, high purity , CAS No.1704120-89-7

COA

Grade & Purity:

≥95%

Cas Number: 1704120-89-7
Molecular Weight: 301.15
MDL number: MFCD28805565
PubChem CID: 91759437

In stock

Item Number

S769996

Grouped product items
SKU	Size	Availability	Price	Qty
S769996-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,842.90
S769996-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,714.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Fluorobenzenes Piperidines Organosulfonamides Aryl fluorides Sulfonyls Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organic metalloid moeity - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

INCHI	InChI=1S/C12H17BFNO4S/c1-9-4-6-15(7-5-9)20(18,19)12-3-2-10(13(16)17)8-11(12)14/h2-3,8-9,16-17H,4-7H2,1H3
InChIKey	AOCXMMQNKJDARI-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C)F)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C)F)(O)O
Molecular Weight	301.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	301.150 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	301.096 Da
Monoisotopic Mass	301.096 Da
Topological Polar Surface Area	86.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420.000
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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