4-Cyano-2-methoxyphenylboronic Acid - CAS 1256345-67-1

Catalog:	BB006151
Product Name:	4-Cyano-2-methoxyphenylboronic Acid
CAS:	1256345-67-1
Synonyms:	(4-cyano-2-methoxyphenyl)boronic acid; (4-cyano-2-methoxyphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(4-cyano-2-methoxyphenyl)boronic acid
Description:	4-Cyano-2-methoxyphenylboronic Acid (CAS# 1256345-67-1) is a useful research chemical.
Molecular Weight:	176.97
Molecular Formula:	C8H8NO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)C#N)OC)(O)O
InChI:	InChI=1S/C8H8BNO3/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,11-12H,1H3
InChI Key:	CCUBWDNQHCIXNF-UHFFFAOYSA-N
Appearance:	Solid
LogP:	-0.75332

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
CA-3070013-A1	Substituted pyrrolopyridine-derivatives	20170718
EP-3655406-A1	Substituted pyrrolopyridine-derivatives	20170718
WO-2019016071-A1	SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES	20170718

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Related Functional Groups

Boronic Acids and Esters

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2-Ethoxycarbonylphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[82954-89-0]
Ethylboronic Acid Pinacol Ester

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.0597233
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	73.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0