Home Boronic acids 1-Acetylpyrrole-3-boronic acid, pinacol ester

1-Acetylpyrrole-3-boronic acid, pinacol ester

CAS No.:
1174718-91-2
Catalog Number:
AG000ECB
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$438
- +
1g
96%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG000ECB
Chemical Name:
1-Acetylpyrrole-3-boronic acid, pinacol ester
CAS Number:
1174718-91-2
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD16036147
IUPAC Name:
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]ethanone
InChI:
InChI=1S/C12H18BNO3/c1-9(15)14-7-6-10(8-14)13-16-11(2,3)12(4,5)17-13/h6-8H,1-5H3
InChI Key:
FDBYQQRPZJRMTM-UHFFFAOYSA-N
SMILES:
CC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties