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4-Chloro-2-(5-isoxazolyl)phenol - ≧95%, high purity , CAS No.86176-56-9

COA

Grade & Purity:

≥95%

Cas Number: 86176-56-9
Molecular Weight: 195.61
MDL number: MFCD00218660
PubChem CID: 4199500

In stock

Item Number

B301422

Grouped product items
SKU	Size	Availability	Price
B301422-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
B301422-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90
B301422-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$893.90

Basic Description

Synonyms	4-chloro-2-(isoxazol-5-yl)phenol \| 86176-56-9 \| 4-Chloro-2-(5-isoxazolyl)phenol \| 4-chloro-2-isoxazol-5-yl-phenol \| 4-chloro-2-(1,2-oxazol-5-yl)phenol \| CHEMBL4541308 \| 4-chloro-2-isoxazol-5-ylphenol \| SCHEMBL2794646 \| DTXSID30425580 \| AAJXJLYUWKMQNO-UHFFFAOYSA-N \| (6E)-4-ch
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Chlorophenols
        Level6 P-chlorophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Chlorophenols
Direct Parent	P-chlorophenols
Alternative Parents	Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-chloro-2-(1,2-oxazol-5-yl)phenol
INCHI	InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKey	AAJXJLYUWKMQNO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C2=CC=NO2)O
Isomeric SMILES	C1=CC(=C(C=C1Cl)C2=CC=NO2)O
Molecular Weight	195.61
Reaxy-Rn	4413209
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4413209&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	195.600 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	195.009 Da
Monoisotopic Mass	195.009 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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