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(4-(Cyclopropanesulfonamido)phenyl)boronic acid - ≥98%, high purity , CAS No.1072945-68-6

COA

Grade & Purity:

≥98%

Cas Number: 1072945-68-6
Molecular Weight: 241.07
PubChem CID: 46738840

In stock

Item Number

P732752

Grouped product items
SKU	Size	Availability	Price	Qty
P732752-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$153.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Sulfanilides
Intermediate Tree Nodes	Not available
Direct Parent	Sulfanilides
Alternative Parents	Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Sulfanilide - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Boronic acid derivative - Boronic acid - Organic metalloid salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
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	[4-(cyclopropylsulfonylamino)phenyl]boronic acid
INCHI	InChI=1S/C9H12BNO4S/c12-10(13)7-1-3-8(4-2-7)11-16(14,15)9-5-6-9/h1-4,9,11-13H,5-6H2
InChIKey	RYFOEMWOTGVANV-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)NS(=O)(=O)C2CC2)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)NS(=O)(=O)C2CC2)(O)O
PubChem CID	46738840
Molecular Weight	241.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.080 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	241.058 Da
Monoisotopic Mass	241.058 Da
Topological Polar Surface Area	95.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	328.000
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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