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8-(2-Fluorophenyl)-7H-purine - ≥95%, high purity , CAS No.878287-56-0

COA

Grade & Purity:

≥95%

Cas Number: 878287-56-0
Molecular Weight: 214.2
PubChem CID: 46941611

In stock

Item Number

H732925

Grouped product items
SKU	Size	Availability	Price	Qty
H732925-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
H732925-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Purines and purine derivatives Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-phenylimidazole - Imidazopyrimidine - Purine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole 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	8-(2-fluorophenyl)-7H-purine
INCHI	InChI=1S/C11H7FN4/c12-8-4-2-1-3-7(8)10-15-9-5-13-6-14-11(9)16-10/h1-6H,(H,13,14,15,16)
InChIKey	WSJXIFBIXREODX-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=NC3=NC=NC=C3N2)F
Isomeric SMILES	C1=CC=C(C(=C1)C2=NC3=NC=NC=C3N2)F
PubChem CID	46941611
Molecular Weight	214.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.200 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	214.065 Da
Monoisotopic Mass	214.065 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	250.000
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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