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Home > Boronic Acids > 109299-78-7
109299-78-7 | Pyrimidine-5-boronic acid
CAS No: 109299-78-7 Catalog No: AG0034B5 MDL No:MFCD03002366
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 |
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