CAS 1028205-76-6 | 2,3,4,5,6-PENTAMETHYLPHENYLBORONIC ACID | CAS Number 1028205-76-6

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1028205-76-6 | 2,3,4,5,6-PENTAMETHYLPHENYLBORONIC ACID

CAS No: 1028205-76-6 Catalog No: AG008SVH MDL No:MFCD06801718

Product Description

Catalog Number:

AG008SVH

Chemical Name:

2,3,4,5,6-PENTAMETHYLPHENYLBORONIC ACID

CAS Number:

1028205-76-6

Molecular Formula:

C11H17BO2

Molecular Weight:

192.0625

MDL Number:

MFCD06801718

IUPAC Name:

(2,3,4,5,6-pentamethylphenyl)boronic acid

InChI:

InChI=1S/C11H17BO2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h13-14H,1-5H3

InChI Key:

UJTUQGRGYLGFBX-UHFFFAOYSA-N

SMILES:

Cc1c(C)c(B(O)O)c(c(c1C)C)C

Properties

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.065g/mol

Monoisotopic Mass:

192.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
(2,4,6-Trimethyl-phen-yl)boronic acid-triphenyl-phosphine oxide (1/1).	Acta crystallographica. Section E, Structure reports online 20120101
Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids.	Organic & biomolecular chemistry 20080407