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1-(3-Fluoro-4-methoxyphenyl)propan-1-one - 98%, high purity , CAS No.586-22-1

COA

Grade & Purity:

≥98%

Cas Number: 586-22-1
Molecular Weight: 182.19
PubChem CID: 276284

In stock

Item Number

F194083

Grouped product items
SKU	Size	Availability	Price	Qty
F194083-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
F194083-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$724.90

Basic Description

Synonyms	586-22-1 \| 1-(3-fluoro-4-methoxyphenyl)propan-1-one \| 3'-Fluoro-4'-methoxypropiophenone \| 3-fluoro-4-methoxypropiophenone \| 1-(3-FLUORO-4-METHOXYPHENYL)-1-PROPANONE \| MFCD01814881 \| NSC123876 \| Bionet2_000494 \| SCHEMBL2845183 \| DTXSID00298526 \| SQXQCZIODUUTAD-UHFFFAOYSA-N \| HM
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenylpropanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ether - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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	1-(3-fluoro-4-methoxyphenyl)propan-1-one
INCHI	InChI=1S/C10H11FO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChIKey	SQXQCZIODUUTAD-UHFFFAOYSA-N
Smiles	CCC(=O)C1=CC(=C(C=C1)OC)F
Isomeric SMILES	CCC(=O)C1=CC(=C(C=C1)OC)F
Molecular Weight	182.19
Reaxy-Rn	1869317
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869317&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	182.190 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.074 Da
Monoisotopic Mass	182.074 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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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