Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2118331	Certificate of Analysis	Jul 15, 2024	F302302
I2118332	Certificate of Analysis	Jul 15, 2024	F302302
I2118333	Certificate of Analysis	Jul 15, 2024	F302302

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Sensitivity	Hygroscopic
Boil Point(°C)	333.3±52.0 °C(Predicted)
Melt Point(°C)	114-116°C
Molecular Weight	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

Solution Calculators

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Reviews

Canonical Smiles	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
Isomeric SMILES	B(C1=C(C=CC=C1F)O)(O)O
Molecular Weight	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

Overview