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4-chloro-2-methylquinolin-6-ylboronic acid

4-chloro-2-methylquinolin-6-ylboronic acid

CAS: 1402238-27-0

Formula: C10H9BClNO2

SMILES: CC1=NC2=CC=C(C=C2C(Cl)=C1)B(O)O

IUPAC: (4-chloro-2-methylquinolin-6-yl)boronic acid

InChI: InChI=1S/C10H9BClNO2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5,14-15H,1H3

Composition: C (54.24%), H (4.10%), B (4.88%), Cl (16.01%), N (6.33%), O (14.45%)

Molar Mass: 221.45

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.041486
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CGWKHIBVGITMJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.92
Topological Polar Surface Area 53.35
Polarizability 23.79
Ring Count 2
Rotatable Bond Count 1

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Purity (%)
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Ships Within
Days
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1402238-27-0 $572.70-$1,115.50$572.70$1,115.50
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