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isoquinolin-4-ylboronic acid hydrochloride

isoquinolin-4-ylboronic acid hydrochloride

CAS: 677702-23-7

Formula: C9H9BClNO2

SMILES: Cl.OB(O)C1=CN=CC2=CC=CC=C12

IUPAC: (isoquinolin-4-yl)boronic acid hydrochloride

InChI: InChI=1S/C9H8BNO2.ClH/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9;/h1-6,12-13H;1H

Composition: C (51.61%), H (4.33%), B (5.16%), Cl (16.93%), N (6.69%), O (15.28%)

Molar Mass: 209.44

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.041486
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KVBIOGMRHMKPFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.9
Topological Polar Surface Area 53.35
Polarizability 20.18
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 677702-23-7 $11.50-$211.60$11.50$16.10$54.05$211.60
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98% <7 Days 677702-23-7 $13.46-$787.64$13.46$23.81$89.01$344.66$787.64
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97% <5 Days 677702-23-7 $13.87-$250.94$13.87$41.61$78.18$250.94
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