2-Bromo-6-fluorophenylboronic Acid - CAS 913835-80-0

Catalog:	BB040147
Product Name:	2-Bromo-6-fluorophenylboronic Acid
CAS:	913835-80-0
Synonyms:	(2-bromo-6-fluorophenyl)boronic acid; (2-bromo-6-fluorophenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-bromo-6-fluorophenyl)boronic acid
Description:	2-Bromo-6-fluorophenylboronic Acid (CAS# 913835-80-0) is a useful research chemical.
Molecular Weight:	218.82
Molecular Formula:	C6H5BrFO2B
Canonical SMILES:	B(C1=C(C=CC=C1Br)F)(O)O
InChI:	InChI=1S/C6H5BBrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:	MVSHYHSMIRBRGU-UHFFFAOYSA-N
Boiling Point:	324.4 °C at 760 mmHg
Melting Point:	138-143 °C (lit.)
Density:	1.75 g/cm³
LogP:	0.26800

Publication Number	Title	Priority Date
CN-109661450-B	Organic light emitting device	20170810
EP-3415512-A2	Novel heterocyclic compound and organic light emitting element using same	20161107
JP-2019513131-A	Novel heterocyclic compound and organic light emitting device using the same	20161107
JP-6638160-B2	Novel heterocyclic compound and organic light emitting device using the same	20161107
TW-201817727-A	Compound and organic light-emitting device comprising the same	20161107

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Related Functional Groups

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.955
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.955
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0