Home Boronic acids 2-[(4'-tert-Butyl-2'-methylphenoxy)methyl]phenylboronic acid

2-[(4'-tert-Butyl-2'-methylphenoxy)methyl]phenylboronic acid

CAS No.:
1072951-76-8
Catalog Number:
AG003G82
Molecular Formula:
C18H23BO3
Molecular Weight:
298.1844
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$45
- +
5g
96%
In Stock USA
United States
$180
- +
Product Description
Catalog Number:
AG003G82
Chemical Name:
2-[(4'-tert-Butyl-2'-methylphenoxy)methyl]phenylboronic acid
CAS Number:
1072951-76-8
Molecular Formula:
C18H23BO3
Molecular Weight:
298.1844
MDL Number:
MFCD08276830
IUPAC Name:
[2-[(4-tert-butyl-2-methylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C18H23BO3/c1-13-11-15(18(2,3)4)9-10-17(13)22-12-14-7-5-6-8-16(14)19(20)21/h5-11,20-21H,12H2,1-4H3
InChI Key:
DUXBNUDEXAKRNL-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OCc1ccccc1B(O)O)C(C)(C)C
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.189g/mol
Monoisotopic Mass:
298.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties