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 |
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 |
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 |
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