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1-(7-Bromo-1H-indol-3-yl)ethanone - 98%, high purity , CAS No.944086-09-3

COA

Grade & Purity:

≥98%

Cas Number: 944086-09-3
Molecular Weight: 238.08
PubChem CID: 16751572

In stock

Item Number

B195986

Grouped product items
SKU	Size	Availability	Price	Qty
B195986-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
B195986-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90

Discover 1-(7-Bromo-1H-indol-3-yl)ethanone by Aladdin Scientific in 98% for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-(7-Bromo-1H-indol-3-yl)ethanone \| 944086-09-3 \| 1-(7-Bromo-1H-indol-3-yl)ethan-1-one \| MFCD20528267 \| 3-Acetyl-7-bromoindole \| DTXSID50587831 \| AKOS016006525 \| 1-(7-Bromo-1H-indole-3-yl)ethanone \| DS-16543 \| SY114806 \| EN300-3026833 \| 1-(7-Bromo-1H-indol-3-yl)ethanone, Aldri
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Aryl alkyl ketones Substituted pyrroles Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Aryl ketone - Aryl alkyl ketone - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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

IUPAC Name	1-(7-bromo-1H-indol-3-yl)ethanone
INCHI	InChI=1S/C10H8BrNO/c1-6(13)8-5-12-10-7(8)3-2-4-9(10)11/h2-5,12H,1H3
InChIKey	ZRGRITPJQJCAFA-UHFFFAOYSA-N
Smiles	CC(=O)C1=CNC2=C1C=CC=C2Br
Isomeric SMILES	CC(=O)C1=CNC2=C1C=CC=C2Br
Molecular Weight	238.08
Reaxy-Rn	11285208
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11285208&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	238.080 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	236.979 Da
Monoisotopic Mass	236.979 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219.000
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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