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5-(Methoxycarbonyl)thiophene-3-boronic acid - 96%, high purity , CAS No.957062-52-1

COA

Grade & Purity:

≥96%

Cas Number: 957062-52-1
Molecular Weight: 186
PubChem CID: 44118616

In stock

Item Number

M188753

Grouped product items
SKU	Size	Availability	Price	Qty
M188753-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
M188753-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$748.90

Discover 5-(Methoxycarbonyl)thiophene-3-boronic acid by Aladdin Scientific in 96% for only $166.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	957062-52-1 \| (5-(Methoxycarbonyl)thiophen-3-yl)boronic acid \| 5-(Methoxycarbonyl)thiophene-3-boronic acid \| (5-methoxycarbonylthiophen-3-yl)boronic acid \| [5-(Methoxycarbonyl)thiophen-3-yl]boronic acid \| 4-Boronothiophene-2-carboxylic acid methyl ester \| MFCD0980087
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxylic acids and derivatives
Alternative Parents	Methyl esters Heteroaromatic compounds Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
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	(5-methoxycarbonylthiophen-3-yl)boronic acid
INCHI	InChI=1S/C6H7BO4S/c1-11-6(8)5-2-4(3-12-5)7(9)10/h2-3,9-10H,1H3
InChIKey	MGDKHNFETCRNRQ-UHFFFAOYSA-N
Smiles	B(C1=CSC(=C1)C(=O)OC)(O)O
Isomeric SMILES	B(C1=CSC(=C1)C(=O)OC)(O)O
Molecular Weight	186
Reaxy-Rn	23058903
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23058903&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	186.016 Da
Monoisotopic Mass	186.016 Da
Topological Polar Surface Area	95.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175.000
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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