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3-(Methoxy(methyl)aminocarbonyl)-5-nitrophenylboronic acid - 98%, high purity , CAS No.871332-84-2

COA

Grade & Purity:

≥98%

Cas Number: 871332-84-2
Molecular Weight: 254
PubChem CID: 44119839

In stock

Item Number

M187371

Grouped product items
SKU	Size	Availability	Price
M187371-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
M187371-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
M187371-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,588.90

Basic Description

Synonyms	871332-84-2 \| 3-[methoxy(methyl)carbamoyl]-5-nitrophenylboronic acid \| 3-(Methoxy(methyl)aminocarbonyl)-5-nitrophenylboronic acid \| 3-[(N-Methoxy-N-methylamino)carbonyl]-5-nitrobenzeneboronic acid \| [3-[methoxy(methyl)carbamoyl]-5-nitrophenyl]boronic acid \| 3-(meth
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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid derivative - Boronic acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic metalloid salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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-[methoxy(methyl)carbamoyl]-5-nitrophenyl]boronic acid
INCHI	InChI=1S/C9H11BN2O6/c1-11(18-2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
InChIKey	RJGIEMNJBJFOMQ-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(C)OC)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(C)OC)(O)O
PubChem CID	44119839
Molecular Weight	254

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.010 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	254.071 Da
Monoisotopic Mass	254.071 Da
Topological Polar Surface Area	116.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	321.000
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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