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3-(Phenylaminocarbonyl)-5-nitrophenylboronic acid - 96%, high purity , CAS No.871332-91-1

COA

Grade & Purity:

≥96%

Cas Number: 871332-91-1
Molecular Weight: 286
PubChem CID: 44886944

In stock

Item Number

P187377

Grouped product items
SKU	Size	Availability	Price	Qty
P187377-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,958.90

Basic Description

Synonyms	871332-91-1 \| 3-(Phenylaminocarbonyl)-5-nitrophenylboronic acid \| (3-Nitro-5-(phenylcarbamoyl)phenyl)boronic acid \| [3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid \| DTXSID60661232 \| WJB33291 \| MFCD07783883 \| AKOS015840712 \| BS-29672 \| CS-0174266 \| (3-Nitro-5-(phenylcarbamoy
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 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	Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Secondary carboxylic acid amides Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid derivative - Organic nitro compound - Boronic acid - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic metalloid salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic metalloid moeity - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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	[3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C13H11BN2O5/c17-13(15-11-4-2-1-3-5-11)9-6-10(14(18)19)8-12(7-9)16(20)21/h1-8,18-19H,(H,15,17)
InChIKey	MBBBPOZKRURPLD-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2)(O)O
PubChem CID	44886944
Molecular Weight	286

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	286.050 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	286.076 Da
Monoisotopic Mass	286.076 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	381.000
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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