Home Boronic acids Pyrimidine-4-boronic acid

Pyrimidine-4-boronic acid

CAS No.:
852362-24-4
Catalog Number:
AG0038E5
Molecular Formula:
C4H5BN2O2
Molecular Weight:
123.9057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$631
- +
250mg
95%
1 week
United States
$928
- +
Product Description
Catalog Number:
AG0038E5
Chemical Name:
Pyrimidine-4-boronic acid
CAS Number:
852362-24-4
Molecular Formula:
C4H5BN2O2
Molecular Weight:
123.9057
MDL Number:
MFCD08234611
IUPAC Name:
pyrimidin-4-ylboronic acid
InChI:
InChI=1S/C4H5BN2O2/c8-5(9)4-1-2-6-3-7-4/h1-3,8-9H
InChI Key:
YQEFFTJDRKXKAP-UHFFFAOYSA-N
SMILES:
OB(c1ccncn1)O
Properties
Complexity:
90.6  
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
Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes. PloS one 20120101
Properties