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2-Fluoro-4-methylsulfonylphenol - ≥98%, high purity , CAS No.398456-87-6

COA

Grade & Purity:

≥98%

Cas Number: 398456-87-6
Molecular Weight: 190.19
PubChem CID: 16128842

In stock

Item Number

F728664

Grouped product items
SKU	Size	Availability	Price	Qty
F728664-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$368.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	O-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Sulfones Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - 2-halophenol - 2-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Sulfonyl - Sulfone - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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	2-fluoro-4-methylsulfonylphenol
INCHI	InChI=1S/C7H7FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey	OVEMQCGVMRIIHW-UHFFFAOYSA-N
Smiles	CS(=O)(=O)C1=CC(=C(C=C1)O)F
Isomeric SMILES	CS(=O)(=O)C1=CC(=C(C=C1)O)F
PubChem CID	16128842
Molecular Weight	190.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.190 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.01 Da
Monoisotopic Mass	190.01 Da
Topological Polar Surface Area	62.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	244.000
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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