Home Boronic acids Pyrimidine-5-boronic acid

Pyrimidine-5-boronic acid

CAS No.:
109299-78-7
Catalog Number:
AG0034B5
Molecular Formula:
C4H5BN2O2
Molecular Weight:
123.9057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$44
- +
25g
97%
In Stock USA
United States
$150
- +
100g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0034B5
Chemical Name:
Pyrimidine-5-boronic acid
CAS Number:
109299-78-7
Molecular Formula:
C4H5BN2O2
Molecular Weight:
123.9057
MDL Number:
MFCD03002366
IUPAC Name:
pyrimidin-5-ylboronic acid
InChI:
InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H
InChI Key:
HZFPPBMKGYINDF-UHFFFAOYSA-N
SMILES:
OB(c1cncnc1)O
Properties
Complexity:
84.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.044g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
123.906g/mol
Monoisotopic Mass:
124.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions. Organic & biomolecular chemistry 20040321
Properties