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4-(1,3,2-Dioxaborinan-2-yl)-N-methylbenzamide - 96%, high purity , CAS No.957120-71-7

COA

Grade & Purity:

≥96%

Cas Number: 957120-71-7
Molecular Weight: 219
PubChem CID: 44118597

In stock

Item Number

D188833

Grouped product items
SKU	Size	Availability	Price	Qty
D188833-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90
D188833-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$624.90

Discover 4-(1,3,2-Dioxaborinan-2-yl)-N-methylbenzamide by Aladdin Scientific in 96% for only $156.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(1,3,2-Dioxaborinan-2-yl)-N-methylbenzamide \| 957120-71-7 \| DTXSID80656903 \| MFCD09801045 \| AKOS015855821 \| SB76942 \| BS-23139 \| CS-0174537 \| E84147 \| A858853 \| 4-(Methylcarbamoyl)benzeneboronic acid, propanediol cyclic ester
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzamides
Alternative Parents	Benzoyl derivatives Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzamide - Benzoyl - Boronic acid ester - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached 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

IUPAC Name	4-(1,3,2-dioxaborinan-2-yl)-N-methylbenzamide
INCHI	InChI=1S/C11H14BNO3/c1-13-11(14)9-3-5-10(6-4-9)12-15-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKey	OSPLZNVCQGLLEZ-UHFFFAOYSA-N
Smiles	B1(OCCCO1)C2=CC=C(C=C2)C(=O)NC
Isomeric SMILES	B1(OCCCO1)C2=CC=C(C=C2)C(=O)NC
PubChem CID	44118597
Molecular Weight	219

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.050 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.107 Da
Monoisotopic Mass	219.107 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	235.000
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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