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4-Fluorophenylboronic acid neopentylglycol ester - 97%, high purity , CAS No.225916-39-2
Discover 4-Fluorophenylboronic acid neopentylglycol ester by Aladdin Scientific in 97% for only $35.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(4-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane | 225916-39-2 | 4-Fluorophenylboronic acid neopentylglycol ester | 4-Fluorophenylboronic acid, neopentyl ester | SCHEMBL1136930 | DTXSID90452150 | GWWSSPCPSWVJRZ-UHFFFAOYSA-N | MFCD05663850 | AKOS004113989 | AB21949 | AS-30
Specifications & Purity
≥97%
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 Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fluorobenzene - Aryl halide - Aryl fluoride - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen 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
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
2-(4-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
INCHI
InChI=1S/C11H14BFO2/c1-11(2)7-14-12(15-8-11)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
GWWSSPCPSWVJRZ-UHFFFAOYSA-N
Smiles
B1(OCC(CO1)(C)C)C2=CC=C(C=C2)F
Isomeric SMILES
B1(OCC(CO1)(C)C)C2=CC=C(C=C2)F
WGK Germany
3
Molecular Weight
208.04
Reaxy-Rn
8257216
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8257216&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
208.040 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
208.107 Da
Monoisotopic Mass
208.107 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
205.000
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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