3-Bromo-2-fluorophenylboronic Acid - CAS 352535-97-8

Catalog:	BB022578
Product Name:	3-Bromo-2-fluorophenylboronic Acid
CAS:	352535-97-8
Synonyms:	(3-bromo-2-fluorophenyl)boronic acid; (3-bromo-2-fluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-bromo-2-fluorophenyl)boronic acid
Description:	3-Bromo-2-fluorophenylboronic Acid (CAS# 352535-97-8) is a useful research chemical.
Molecular Weight:	218.82
Molecular Formula:	C6H5BrFO2B
Canonical SMILES:	B(C1=C(C(=CC=C1)Br)F)(O)O
InChI:	InChI=1S/C6H5BBrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChI Key:	QCLOSORNRRMFIA-UHFFFAOYSA-N
Boiling Point:	326.6 °C at 760 mmHg
Density:	1.75 g/cm³
MDL:	MFCD05664228
LogP:	0.26800

Publication Number	Title	Priority Date
KR-20200061721-A	Organic compound and organic electroluminescent device using the same	20181126
WO-2020111663-A1	Organic compound and organic electroluminescent device using same	20181126
AU-2018290511-A1	Dihydropyrimidine compounds and uses thereof in medicine	20170626
EP-3658554-A1	Dihydropyrimidine compounds and uses thereof in medicine	20170626
US-2020115381-A1	Dihydropyrimidine compounds and uses thereof in medicine	20170626

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.95500
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.95500
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0