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Methyl 6-chloro-1H-indole-4-carboxylate - 97%, high purity , CAS No.1082040-57-0

COA

Grade & Purity:

≥97%

Cas Number: 1082040-57-0
Molecular Weight: 209.63
PubChem CID: 53399422

In stock

Item Number

M189605

Grouped product items
SKU	Size	Availability	Price	Qty
M189605-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M189605-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90

Discover Methyl 6-chloro-1H-indole-4-carboxylate by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 6-chloro-1H-indole-4-carboxylate \| 1082040-57-0 \| MFCD11845461 \| Methyl 6-chloroindole-4-carboxylate \| Methyl-6-Chloro indole-4-carboxylate \| Methyl6-chloro-1H-indole-4-carboxylate \| SCHEMBL2309361 \| DTXSID00694620 \| DJXHUOUZHKUEKC-UHFFFAOYSA-N \| AMY10031 \| Methyl 6-C
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	3-halobenzoic acids and derivatives Indoles Aryl chlorides Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole - Aryl chloride - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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	methyl 6-chloro-1H-indole-4-carboxylate
INCHI	InChI=1S/C10H8ClNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKey	DJXHUOUZHKUEKC-UHFFFAOYSA-N
Smiles	COC(=O)C1=C2C=CNC2=CC(=C1)Cl
Isomeric SMILES	COC(=O)C1=C2C=CNC2=CC(=C1)Cl
Molecular Weight	209.63
Reaxy-Rn	23692493
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23692493&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	209.630 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	209.024 Da
Monoisotopic Mass	209.024 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234.000
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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