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pyrimidin-5-ylboronic acid

pyrimidin-5-ylboronic acid

CAS: 109299-78-7

Formula: C4H5BN2O2

SMILES: OB(O)C1=CN=CN=C1

IUPAC: (pyrimidin-5-yl)boronic acid

InChI: InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H

Composition: C (38.77%), H (4.07%), B (8.72%), N (22.61%), O (25.82%)

Molar Mass: 123.91

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 124.044407
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HZFPPBMKGYINDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.27
Topological Polar Surface Area 66.24
Polarizability 11.79
Ring Count 1
Rotatable Bond Count 1

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