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4-methoxypyrimidin-5-ylboronic acid

4-methoxypyrimidin-5-ylboronic acid

CAS: 909187-37-7

Formula: C5H7BN2O3

SMILES: COC1=NC=NC=C1B(O)O

IUPAC: (4-methoxypyrimidin-5-yl)boronic acid

InChI: InChI=1S/C5H7BN2O3/c1-11-5-4(6(9)10)2-7-3-8-5/h2-3,9-10H,1H3

Composition: C (39.01%), H (4.58%), B (7.02%), N (18.20%), O (31.18%)

Molar Mass: 153.93

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 154.054972
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SIHFIKAJVVQLMX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.04
Topological Polar Surface Area 75.47
Polarizability 14.35
Ring Count 1
Rotatable Bond Count 2

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