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4-(3-Fluorophenoxy)aniline - 97%, high purity , CAS No.307308-62-9
Discover 4-(3-Fluorophenoxy)aniline by Aladdin Scientific in 97% for only $356.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(3-fluorophenoxy)aniline | 307308-62-9 | Benzenamine, 4-(3-fluorophenoxy)- | SCHEMBL3022627 | DTXSID70572926 | MFCD02663349 | STK349853 | AKOS000215275 | SB77456 | AS-17968 | BB 0216568 | CS-0139325 | EN300-50893 | C77666 | A876103 | J-018087 | Z330804534
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Diaryl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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
4-(3-fluorophenoxy)aniline
INCHI
InChI=1S/C12H10FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
InChIKey
OHACTALIXWVZFF-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)N
Isomeric SMILES
C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)N
Molecular Weight
203.2
Reaxy-Rn
14465499
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14465499&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
203.210 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
203.075 Da
Monoisotopic Mass
203.075 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
192.000
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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