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(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)methanol - 95%, high purity , CAS No.1018297-63-6

COA

Grade & Purity:

≥95%

Cas Number: 1018297-63-6
Molecular Weight: 207.2
PubChem CID: 28473136

In stock

Item Number

F189344

Grouped product items
SKU	Size	Availability	Price	Qty
F189344-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
F189344-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$92.90

Basic Description

Synonyms	(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)methanol \| 1018297-63-6 \| [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol \| 4-Isoxazolemethanol, 3-(4-fluorophenyl)-5-methyl- \| MFCD10008830 \| [3-(4-Fluoro-phenyl)-5-methyl-isoxazole-4-yl]methanol \| SCHEMBL286403 \| DTXSID
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aromatic alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

Names and Identifiers

IUPAC Name	[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol
INCHI	InChI=1S/C11H10FNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3
InChIKey	YTPVTPNVCHCMAT-UHFFFAOYSA-N
Smiles	CC1=C(C(=NO1)C2=CC=C(C=C2)F)CO
Isomeric SMILES	CC1=C(C(=NO1)C2=CC=C(C=C2)F)CO
Molecular Weight	207.2
Reaxy-Rn	19132834
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19132834&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	207.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.07 Da
Monoisotopic Mass	207.07 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207.000
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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