4-Bromo-2-methoxyphenylboronic Acid - CAS 889849-21-2

Catalog:	BB039291
Product Name:	4-Bromo-2-methoxyphenylboronic Acid
CAS:	889849-21-2
Synonyms:	(4-bromo-2-methoxyphenyl)boronic acid; (4-bromo-2-methoxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-bromo-2-methoxyphenyl)boronic acid
Description:	4-Bromo-2-methoxyphenylboronic Acid (CAS# 889849-21-2) is a useful research chemical.
Molecular Weight:	230.85
Molecular Formula:	C7H8BrO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)Br)OC)(O)O
InChI:	InChI=1S/C7H8BBrO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:	VJWDDRPEDLXFLY-UHFFFAOYSA-N
Boiling Point:	354.5±52.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³
MDL:	MFCD11856025
LogP:	0.13750

Publication Number	Title	Priority Date
WO-2021174167-A1	Compounds and methods for modulating splicing	20200228
CN-110590770-A	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822
CN-110590770-B	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822
CN-109942527-A	A kind of synthetic method of 3- bromine dibenzofurans	20190426
EP-3636637-A1	Inhibiting fatty acid synthase (fasn)	20181010

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Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.97499
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	229.97499
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0