4-Cyanomethylphenylboronic acid

Product Information

Molecular Formula:
C8H8NO2B
Molecular Weight:
160.97
Description
4-Cyanomethylphenylboronic acid is a crucial compound in biomedical research. It exhibits potent inhibitory effects against specific enzymes involved in the progression of various diseases. This product is commonly utilized in drug discovery studies for the development of novel therapeutics aimed at treating cancer, diabetes, and other related ailments.
Synonyms
(4-CYANOMETHYLPHENYL)BORONIC ACID; 4-(CYANOMETHYL)BENZENEBORONIC ACID; RARECHEM AH PB 0157; 4-Boronophenylacetonitrile; 4-(Cyanomethyl)benzeneboronicacid,98%; 4-Cyanomethylbenzeneboronc acid
IUPAC Name
[4-(cyanomethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)CC#N)(O)O
InChI
InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChI Key
YKVMTTIYBSVPEQ-UHFFFAOYSA-N
Boiling Point
375.7ºC at 760mmHg
Melting Point
138-142ºC
Flash Point
Not applicable
Purity
98%
Density
1.2g/cm3

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114085195-A Biodegradable film material with light conversion function, preparation method thereof and film doping material thereof 2021-11-30
CN-113831510-A Covalent organic framework based on benzoselenadiazole and preparation method and application thereof 2021-06-24
CN-113527318-A Preparation of carbon-carbon double-bond-connected covalent organic microporous material and application of material in photolysis of water 2021-06-02
CN-112479928-A Synthetic method of phenylacetonitrile aromatic mechanical response fluorescent material 2020-12-03
CN-111973742-A Nanometer probe capable of visually guiding photodynamic therapy and preparation method and application thereof 2020-08-28
CN-111875628-A Fluorescent probe with aggregation-induced emission characteristic, preparation method and application 2020-08-14
WO-2022031772-A1 Therapeutic composition of cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and usage 2020-08-07
WO-2022031774-A2 Therapeutic cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and using them 2020-08-07
WO-2022031777-A2 Therapeutically useful cure-pro molecules for e3 ligase mediated degradation of proteins, and methods of making and using them 2020-08-07
EP-3878891-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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