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1-(5-Bromo-1H-indol-3-yl)-2-chloroethanone - ≥98%, high purity , CAS No.65040-36-0

COA

Grade & Purity:

≥98%

Cas Number: 65040-36-0
EC Number: 885-794-4
PubChem CID: 936825

In stock

Item Number

C736116

Grouped product items
SKU	Size	Availability	Price
C736116-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$173.90
C736116-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
C736116-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$794.90

Basic Description

Specifications & Purity	≥98%
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 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 Alpha-chloroketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Aryl ketone - Aryl alkyl ketone - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Vinylogous amide - Heteroaromatic compound - Ketone - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - Alkyl halide - 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-(5-bromo-1H-indol-3-yl)-2-chloroethanone
INCHI	InChI=1S/C10H7BrClNO/c11-6-1-2-9-7(3-6)8(5-13-9)10(14)4-12/h1-3,5,13H,4H2
InChIKey	RYJJRBVIRXGVHX-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Br)C(=CN2)C(=O)CCl
Isomeric SMILES	C1=CC2=C(C=C1Br)C(=CN2)C(=O)CCl
Alternate CAS	65040-36-0
PubChem CID	936825

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	272.520 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	270.94 Da
Monoisotopic Mass	270.94 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236.000
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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