sales@angenesci.com
Login | Register
logo
Structures Search
Home Boronic acids 2,3,4,5,6-Pentamethylphenylboronic acid

2,3,4,5,6-Pentamethylphenylboronic acid

CAS No.:
1028205-76-6
Catalog Number:
AG008SVH
Molecular Formula:
C11H17BO2
Molecular Weight:
192.0625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$262
- +
5g
1 week
United States
$928
- +
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.132g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.065g/mol
Monoisotopic Mass:
192.132g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties