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Home > Boronic Acids > 852362-24-4
852362-24-4 | Pyrimidin-4-ylboronic acid
CAS No: 852362-24-4 Catalog No: AG0038E5 MDL No:MFCD08234611
Product Description
Catalog Number:
AG0038E5
Chemical Name:
Pyrimidin-4-ylboronic 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 |
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