Home Boronic acids 3-Bromo-5-butoxyphenylboronic acid, pinacol ester

3-Bromo-5-butoxyphenylboronic acid, pinacol ester

CAS No.:
1218790-35-2
Catalog Number:
AG00168S
Molecular Formula:
C16H24BBrO3
Molecular Weight:
355.0750
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:
AG00168S
Chemical Name:
3-Bromo-5-butoxyphenylboronic acid, pinacol ester
CAS Number:
1218790-35-2
Molecular Formula:
C16H24BBrO3
Molecular Weight:
355.0750
MDL Number:
MFCD12546590
IUPAC Name:
2-(3-bromo-5-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H24BBrO3/c1-6-7-8-19-14-10-12(9-13(18)11-14)17-20-15(2,3)16(4,5)21-17/h9-11H,6-8H2,1-5H3
InChI Key:
KXZBSOUMYLRMPM-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1)Br)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.1g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.079g/mol
Monoisotopic Mass:
354.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties