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(1-(tert-Butoxycarbonyl)-1H-indol-5-yl)boronic acid - ≥95%, high purity , CAS No.317830-84-5

COA

Grade & Purity:

≥95%

Cas Number: 317830-84-5
Molecular Weight: 261.079
PubChem CID: 18375637

In stock

Item Number

H729220

Grouped product items
SKU	Size	Availability	Price
H729220-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
H729220-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90
H729220-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$390.90
H729220-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,695.90

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 Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids 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 - Pyrrole-1-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Boronic acid derivative - Boronic acid - 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	[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boronic acid
INCHI	InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-7-6-9-8-10(14(17)18)4-5-11(9)15/h4-8,17-18H,1-3H3
InChIKey	LMSHKSBYXDUUBM-UHFFFAOYSA-N
Smiles	B(C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(O)O
Isomeric SMILES	B(C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(O)O
PubChem CID	18375637
Molecular Weight	261.079

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.079 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	261.117 Da
Monoisotopic Mass	261.117 Da
Topological Polar Surface Area	71.700 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	342.000
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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