Home Boronic acids 3-Methoxycarbonyl-5-isobutoxyphenylboronic acid, pinacol ester

3-Methoxycarbonyl-5-isobutoxyphenylboronic acid, pinacol ester

CAS No.:
1218789-59-3
Catalog Number:
AG00167B
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$300
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00167B
Chemical Name:
3-Methoxycarbonyl-5-isobutoxyphenylboronic acid, pinacol ester
CAS Number:
1218789-59-3
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
MDL Number:
MFCD12546595
IUPAC Name:
methyl 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C18H27BO5/c1-12(2)11-22-15-9-13(16(20)21-7)8-14(10-15)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3
InChI Key:
KTHUYYIYKYRAHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCC(C)C)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.195g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.219g/mol
Monoisotopic Mass:
334.195g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties