The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
5-(4-Fluorophenyl)isoxazole - 98%, high purity , CAS No.138716-37-7
Basic Description
Synonyms
5-(4-Fluorophenyl)isoxazole | 138716-37-7 | 5-(4-fluorophenyl)-1,2-oxazole | Isoxazole, 5-(4-fluorophenyl)- | SCHEMBL9679859 | DTXSID20379184 | MFCD02183544 | AKOS005257874 | FS-2076 | 5-(4-Fluorophenyl)isoxazole, AldrichCPR | CS-0206141 | D95859
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Isoxazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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
Data sources
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.
Names and Identifiers
IUPAC Name
5-(4-fluorophenyl)-1,2-oxazole
INCHI
InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
InChIKey
JZCBQTRPILCIBC-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=CC=NO2)F
Isomeric SMILES
C1=CC(=CC=C1C2=CC=NO2)F
Molecular Weight
163.1
Reaxy-Rn
10529562
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10529562&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.150 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
163.043 Da
Monoisotopic Mass
163.043 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
