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5-Bromo-3-indoxyl nonanoate - 98%, high purity , CAS No.133950-70-6

COA

Grade & Purity:

≥98%

Cas Number: 133950-70-6
Molecular Weight: 352.272
PubChem CID: 10154980
PubChem SID: 504765289

In stock

Item Number

B350897

Grouped product items
SKU	Size	Availability	Price
B350897-250mg	250mg	3	$117.90
B350897-1g	1g	3	$361.90
B350897-2.5g	2.5g	2	$817.90

Basic Description

Synonyms	SCHEMBL5071939 \| Nonanoic acid,5-bromo-1H-indol-3-yl ester \| 5-Bromo-3-indolyl nonanoate \| AKOS015914538 \| DTXSID80436242 \| (5-bromo-1H-indol-3-yl) Nonanoate \| 5-bromo-1H-indol-3-yl nonanoate \| B-8910 \| MFCD02683905 \| AMY41425 \| 5-Bromo-3-indoxyl nonanoat
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads 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 Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Fatty acid esters Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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

Pubchem Sid	504765289
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765289
IUPAC Name	(5-bromo-1H-indol-3-yl) nonanoate
INCHI	InChI=1S/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3
InChIKey	KWRFASVVDCCIEJ-UHFFFAOYSA-N
Smiles	CCCCCCCCC(=O)OC1=CNC2=C1C=C(C=C2)Br
Isomeric SMILES	CCCCCCCCC(=O)OC1=CNC2=C1C=C(C=C2)Br
Molecular Weight	352.272
Reaxy-Rn	4194300
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4194300&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C2226413	Certificate of Analysis	Jan 06, 2025	B350897
C2226409	Certificate of Analysis	Jan 06, 2025	B350897
C2226425	Certificate of Analysis	Jan 06, 2025	B350897
E2431015	Certificate of Analysis	Feb 24, 2022	B350897
E2431014	Certificate of Analysis	Feb 24, 2022	B350897

Chemical and Physical Properties

Molecular Weight	352.300 g/mol
XLogP3	6.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	351.083 Da
Monoisotopic Mass	351.083 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	324.000
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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