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1-Benzyloxy-3-fluorobenzene - 96%, high purity , CAS No.72216-35-4
Discover 1-Benzyloxy-3-fluorobenzene by Aladdin Scientific in 96% for only $492.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
72216-35-4 | 1-(benzyloxy)-3-fluorobenzene | 1-BENZYLOXY-3-FLUOROBENZENE | 1-fluoro-3-phenylmethoxybenzene | 1-(Benzyloxy)-3-fluorobenzene;3-Fluorobenzyloxybenzene | 3-(Benzyloxy)fluorobenzene | 1-Benzyloxy-3-fluoro-benzene | 2-benzyloxy-4-fluorobenzene | SCHEMBL669237 | D
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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
1-fluoro-3-phenylmethoxybenzene
INCHI
InChI=1S/C13H11FO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
DIQOSFBOCFVINE-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)COC2=CC(=CC=C2)F
Isomeric SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)F
Molecular Weight
202.2
Reaxy-Rn
2368266
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2368266&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
202.220 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
202.079 Da
Monoisotopic Mass
202.079 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
177.000
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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