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5-formyl-4-methyl-1H-indole-2-carbonitrile - 97%, high purity , CAS No.1857296-22-0

COA

Grade & Purity:

≥97%

Cas Number: 1857296-22-0
Molecular Weight: 184.2
MDL number: MFCD31567509
PubChem CID: 117630977

In stock

Item Number

F630847

Grouped product items
SKU	Size	Availability	Price
F630847-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$125.90
F630847-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
F630847-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$293.90
F630847-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90
F630847-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,681.90
F630847-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,361.90

Basic Description

Synonyms	1857296-22-0 \| DTXSID301266391 \| SY060308 \| AKOS037650805 \| PB41500 \| 5-Formyl-4-methylindole-2-carbonitrile \| MFCD31567509 \| SCHEMBL16149096 \| 5-formyl-4-methyl-1H-indole-2-carbonitrile \| WXKSWTXSZDGHGT-UHFFFAOYSA-N
Specifications & Purity	≥97%
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 and derivatives
Alternative Parents	Indoles Aryl-aldehydes Benzenoids Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) 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	5-formyl-4-methyl-1H-indole-2-carbonitrile
INCHI	InChI=1S/C11H8N2O/c1-7-8(6-14)2-3-11-10(7)4-9(5-12)13-11/h2-4,6,13H,1H3
InChIKey	WXKSWTXSZDGHGT-UHFFFAOYSA-N
Smiles	CC1=C(C=CC2=C1C=C(N2)C#N)C=O
Isomeric SMILES	CC1=C(C=CC2=C1C=C(N2)C#N)C=O
Alternate CAS	1857296-22-0
PubChem CID	117630977
Molecular Weight	184.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.190 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	184.064 Da
Monoisotopic Mass	184.064 Da
Topological Polar Surface Area	56.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	280.000
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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