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[5-(3-fluorophenyl)-pyridin-2-ylmethyl]-phosphonic acid diethyl ester - ≥98%, high purity , CAS No.380894-77-9

COA

Grade & Purity:

≥98%

Cas Number: 380894-77-9
Molecular Weight: 323.3
EC Number: 826-077-8
PubChem CID: 16743266

In stock

Item Number

P728843

Grouped product items
SKU	Size	Availability	Price
P728843-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
P728843-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
P728843-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$382.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Fluorobenzenes Dialkyl alkylphosphonates Phosphonic acid esters Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylpyridine - Dialkyl alkylphosphonate - Fluorobenzene - Halobenzene - Phosphonic acid diester - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Phosphonic acid ester - Heteroaromatic compound - Organophosphonic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organophosphorus compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine 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	2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine
INCHI	InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3
InChIKey	CPOPYWOLIYKTLP-UHFFFAOYSA-N
Smiles	CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC
Isomeric SMILES	CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC
Alternate CAS	380894-77-9
PubChem CID	16743266
Molecular Weight	323.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	323.300 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	323.109 Da
Monoisotopic Mass	323.109 Da
Topological Polar Surface Area	48.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	372.000
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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