Home Boronic acids 3-Butoxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester

3-Butoxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester

CAS No.:
1218789-66-2
Catalog Number:
AG001679
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG001679
Chemical Name:
3-Butoxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CAS Number:
1218789-66-2
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
MDL Number:
MFCD12546598
IUPAC Name:
methyl 3-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C18H27BO5/c1-7-8-9-22-15-11-13(16(20)21-6)10-14(12-15)19-23-17(2,3)18(4,5)24-19/h10-12H,7-9H2,1-6H3
InChI Key:
YVQOJFRMGGKLDD-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1)C(=O)OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
421  
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:
7  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties