3-Bromo-6-fluoro-2-methoxyphenylboronic Acid - CAS 957120-30-8

Catalog:	BB041819
Product Name:	3-Bromo-6-fluoro-2-methoxyphenylboronic Acid
CAS:	957120-30-8
Synonyms:	(3-bromo-6-fluoro-2-methoxyphenyl)boronic acid; (3-bromo-6-fluoro-2-methoxyphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-bromo-6-fluoro-2-methoxyphenyl)boronic acid
Description:	3-Bromo-6-fluoro-2-methoxyphenylboronic Acid (CAS# 957120-30-8) is a useful research chemical.
Molecular Weight:	248.84
Molecular Formula:	C7H7BrFO3B
Canonical SMILES:	B(C1=C(C=CC(=C1OC)Br)F)(O)O
InChI:	InChI=1S/C7H7BBrFO3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12/h2-3,11-12H,1H3
InChI Key:	YJEJISGIPNUDBB-UHFFFAOYSA-N
Boiling Point:	349.7 °C at 760 mmHg
Density:	1.68 g/cm³
MDL:	MFCD09475911
LogP:	0.27660

Publication Number	Title	Priority Date
AU-2011242569-A1	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2011242569-B2	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2011242575-A1	Certain amino-pyrimidines, compositions thereof, and methods for their use	20100423
AU-2011242575-B2	Certain amino-pyrimidines, compositions thereof, and methods for their use	20100423
AU-2011242575-C1	Certain amino-pyrimidines, compositions thereof, and methods for their use	20100423

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.96556
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	247.96556
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0