CAS 256383-45-6 | Boronic acid,B-(4-nonylphenyl)- | CAS Number 256383-45-6

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256383-45-6 | Boronic acid,B-(4-nonylphenyl)-

CAS No: 256383-45-6 Catalog No: AG00I4W5 MDL No:MFCD02093070

Product Description

Catalog Number:

AG00I4W5

Chemical Name:

Boronic acid,B-(4-nonylphenyl)-

CAS Number:

256383-45-6

Molecular Formula:

C15H25BO2

Molecular Weight:

248.1688

MDL Number:

MFCD02093070

IUPAC Name:

(4-nonylphenyl)boronic acid

InChI:

InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3

InChI Key:

VONVJOGSLHAKOX-UHFFFAOYSA-N

SMILES:

CCCCCCCCCc1ccc(cc1)B(O)O

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.195g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.173g/mol

Monoisotopic Mass:

248.195g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Design and synthesis of boronic acid inhibitors of endothelial lipase.	Bioorganic & medicinal chemistry letters 20120201
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase.	Journal of medicinal chemistry 20081127