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(6-(methoxycarbonyl)-1H-indol-2-yl)boronic acid - 97%, high purity , CAS No.1150114-47-8

COA

Grade & Purity:

≥97%

Cas Number: 1150114-47-8
Molecular Weight: 219.01
MDL number: MFCD11858368
PubChem CID: 46739372

In stock

Item Number

H626997

Grouped product items
SKU	Size	Availability	Price
H626997-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$306.90
H626997-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$920.90
H626997-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,534.90

Basic Description

Synonyms	(6-(Methoxycarbonyl)-1H-indol-2-yl)boronic acid \| 1H-Indole-6-carboxylic acid, 2-borono-, 6-methyl ester \| 1150114-47-8 \| (6-(Methoxycarbonyl)-1H-indol-2-yl)boronicacid \| (6-methoxycarbonyl-1H-indol-2-yl)boronic acid \| SB30855 \| [6-(Methoxycarbonyl)-1H-in
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids
Alternative Parents	Indoles Substituted pyrroles Benzenoids Methyl esters Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Indole - Substituted pyrrole - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Boronic acid derivative - Carboxylic acid ester - Boronic acid - Carboxylic acid derivative - Organic metalloid salt - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
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	(6-methoxycarbonyl-1H-indol-2-yl)boronic acid
INCHI	InChI=1S/C10H10BNO4/c1-16-10(13)7-3-2-6-5-9(11(14)15)12-8(6)4-7/h2-5,12,14-15H,1H3
InChIKey	NRUMZMTTWWXRDD-UHFFFAOYSA-N
Smiles	B(C1=CC2=C(N1)C=C(C=C2)C(=O)OC)(O)O
Isomeric SMILES	B(C1=CC2=C(N1)C=C(C=C2)C(=O)OC)(O)O
Alternate CAS	1150114-47-8
PubChem CID	46739372
Molecular Weight	219.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.000 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	219.07 Da
Monoisotopic Mass	219.07 Da
Topological Polar Surface Area	82.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	274.000
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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