2-Amino-4-cyanophenylboronic Acid - CAS 850689-37-1

Catalog:	BB037456
Product Name:	2-Amino-4-cyanophenylboronic Acid
CAS:	850689-37-1
Synonyms:	(2-amino-4-cyanophenyl)boronic acid; (2-amino-4-cyanophenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-amino-4-cyanophenyl)boronic acid
Description:	2-Amino-4-cyanobenzeneboronic Acid Hydrochloride can be used as reactant/reagent in preparation of aryltetrahydronaphthalenamines as serotonin receptor agonists and antagonists. It can also be used in preparation of peptidyl macrocyclic compounds as antiviral agents.
Molecular Weight:	161.95
Molecular Formula:	C7H7N2O2B
Canonical SMILES:	B(C1=C(C=C(C=C1)C#N)N)(O)O
InChI:	InChI=1S/C7H7BN2O2/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,11-12H,10H2
InChI Key:	YNYMSUQBEHPULZ-UHFFFAOYSA-N
LogP:	-0.59852

Publication Number	Title	Priority Date
WO-2015116885-A1	Macrocycles with aromatic p2' groups as factor xia inhibitors	20140131
US-10088476-B2	Volume response sensors having analyte controlled reversible crosslinking	20131007
US-2016252505-A1	Volume response sensors having analyte controlled reversible crosslinking	20131007
WO-2015053975-A1	Volume response sensors having controlled reversible crosslinking	20131007
ES-2598830-T3	Bicyclic compounds or salts thereof for use in the treatment of cancer	20110107

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Related Functional Groups

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.0600576
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	162.0600576
Rotatable Bond Count:	1
Topological Polar Surface Area:	90.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0