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N-(2,3-Dimethylphenyl) 4-boronobenzamide - 98%, high purity , CAS No.913835-36-6

COA

Grade & Purity:

≥98%

Cas Number: 913835-36-6
Molecular Weight: 269.1
PubChem CID: 44119161

In stock

Item Number

N188081

Grouped product items
SKU	Size	Availability	Price
N188081-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
N188081-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$191.90
N188081-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,439.90

Discover N-(2,3-Dimethylphenyl) 4-boronobenzamide by Aladdin Scientific in 98% for only $62.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	913835-36-6 \| 4-(2,3-Dimethylphenylcarbamoyl)phenylboronic acid \| N-(2,3-Dimethylphenyl) 4-boronobenzamide \| [4-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid \| 4-[(2,3-Dimethylphenyl)carbamoyl]benzeneboronic acid \| (4-((2,3-Dimethylphenyl)carbamoyl)phenyl)boro
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Benzamides o-Xylenes Benzoyl derivatives Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Benzamide - Benzoic acid or derivatives - Benzoyl - O-xylene - Xylene - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic metalloid salt - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid
INCHI	InChI=1S/C15H16BNO3/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(9-7-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChIKey	XMQJSFXFADVYRR-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)(O)O
PubChem CID	44119161
Molecular Weight	269.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	269.110 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	269.122 Da
Monoisotopic Mass	269.122 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	329.000
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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