Name: 6-Bromo-2-fluoro-3-hydroxyphenylboronic acid - ≥98% , CAS No.1309980-99-1
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Bromophenols
Direct Parent	P-bromophenols
Alternative Parents	O-fluorophenols Fluorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl bromides Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-bromophenol - 2-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organobromide - Organofluoride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 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:

Propiedades químicas y físicas

Peso molecular	234.820 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	233.95 Da
Monoisotopic Mass	233.95 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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)Br)(O)O
IUPAC Name	(6-bromo-2-fluoro-3-hydroxyphenyl)boronic acid
InChIKey	BTRGQSVQZIGVLU-UHFFFAOYSA-N
INCHI	1S/C6H5BBrFO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10-12H
Isómeros SMILES	B(C1=C(C=CC(=C1F)O)Br)(O)O
Peso molecular	234.8
Reaxy-Rn	55997485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55997485&ln=

6-Bromo-2-fluoro-3-hydroxyphenylboronic acid - ≥98% , CAS No.1309980-99-1

Specifications