CAS 150255-96-2 | Boronic acid, B-(3-cyanophenyl)- | CAS Number 150255-96-2

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150255-96-2 | Boronic acid, B-(3-cyanophenyl)-

CAS No: 150255-96-2 Catalog No: AG001MG2 MDL No:MFCD01318967

Product Description

Catalog Number:

AG001MG2

Chemical Name:

Boronic acid, B-(3-cyanophenyl)-

CAS Number:

150255-96-2

Molecular Formula:

C7H6BNO2

Molecular Weight:

146.9390

MDL Number:

MFCD01318967

IUPAC Name:

(3-cyanophenyl)boronic acid

InChI:

InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H

InChI Key:

XDBHWPLGGBLUHH-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)B(O)O

Properties

Complexity:

175

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.94g/mol

Monoisotopic Mass:

147.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.	Journal of medicinal chemistry 20111222
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase.	Journal of medicinal chemistry 20081127