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3-(4-Fluorophenyl)-1-isopropylindole-2-carbaldehyde - ≥97%, high purity , CAS No.101125-34-2

COA

Grade & Purity:

≥97%

Cas Number: 101125-34-2
PubChem CID: 11312061

In stock

Item Number

I725824

Grouped product items
SKU	Size	Availability	Price	Qty
I725824-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$264.90
I725824-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$670.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	N-alkylindoles Indoles Fluorobenzenes Aryl-aldehydes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-phenylpyrrole - N-alkylindole - Indole - Indole or derivatives - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
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	3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde
INCHI	InChI=1S/C18H16FNO/c1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13/h3-12H,1-2H3
InChIKey	NPWWALYZZIFFPB-UHFFFAOYSA-N
Smiles	CC(C)N1C2=CC=CC=C2C(=C1C=O)C3=CC=C(C=C3)F
Isomeric SMILES	CC(C)N1C2=CC=CC=C2C(=C1C=O)C3=CC=C(C=C3)F
Alternate CAS	101125-34-2
PubChem CID	11312061

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	281.300 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	281.122 Da
Monoisotopic Mass	281.122 Da
Topological Polar Surface Area	22.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	364.000
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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