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7-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

7-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Formula: C16H20BNO2

SMILES: CC1=C(B2OC(C)(C)C(C)(C)O2)C2=NC=CC=C2C=C1

IUPAC: 7-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

InChI: InChI=1S/C16H20BNO2/c1-11-8-9-12-7-6-10-18-14(12)13(11)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3

Composition: C (71.40%), H (7.49%), B (4.02%), N (5.20%), O (11.89%)

Molar Mass: 269.15

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.158709
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AYIFQLQWBWFLFP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.68
Topological Polar Surface Area 31.35
Polarizability 32.43
Ring Count 3
Rotatable Bond Count 1

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J&W PHARMLAB LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C16H20BNO2 $966.00-$5,612.00$966.00$1,587.00$5,612.00
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