Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Fluorophenols
Direct Parent	M-fluorophenols
Alternative Parents	Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic metalloid moeity - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 position of the 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Fecha	Articulo
I2118331	Certificate of Analysis	Jul 15, 2024	F302302
I2118332	Certificate of Analysis	Jul 15, 2024	F302302
I2118333	Certificate of Analysis	Jul 15, 2024	F302302

Propiedades químicas y físicas

Solubilidad	DMSO (Slightly), Methanol (Slightly)
Sensibilidad	Hygroscopic
Punto de ebullición (°C)	333.3±52.0 °C(Predicted)
Punto de fusión (°C)	114-116°C
Peso molecular	155.920 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	156.039 Da
Monoisotopic Mass	156.039 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	B(C1=C(C=CC=C1F)O)(O)O
IUPAC Name	(2-fluoro-6-hydroxyphenyl)boronic acid
InChIKey	FPXQHZPCFRQWCP-UHFFFAOYSA-N
INCHI	1S/C6H6BFO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9-11H
Isómeros SMILES	B(C1=C(C=CC=C1F)O)(O)O
Peso molecular	155.92
Reaxy-Rn	23935562
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23935562&ln=

2-Fluoro-6-hydroxyphenylboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.1256345-60-4

Descripción general