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4-aminopyridin-3-ylboronic acid hydrochloride

4-aminopyridin-3-ylboronic acid hydrochloride

CAS: 959904-53-1

Formula: C5H8BClN2O2

SMILES: Cl.NC1=C(C=NC=C1)B(O)O

IUPAC: (4-aminopyridin-3-yl)boronic acid hydrochloride

InChI: InChI=1S/C5H7BN2O2.ClH/c7-5-1-2-8-3-4(5)6(9)10;/h1-3,9-10H,(H2,7,8);1H

Composition: C (34.44%), H (4.62%), B (6.20%), Cl (20.33%), N (16.06%), O (18.35%)

Molar Mass: 174.39

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.036735
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey UWTNNCFLQICMEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.15
Topological Polar Surface Area 79.37
Polarizability 13.79
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 959904-53-1 $348.76-$4,378.61$348.76$481.53$657.31$995.78$1,255.71$3,094.85$4,378.61
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95% <4 Days 959904-53-1 $215.05-$2,466.75$215.05$1,189.10$2,466.75
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