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7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

Formula: C15H21BFNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=C(CNCC2)C=C1F

IUPAC: 7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1S/C15H21BFNO2/c1-14(2)15(3,4)20-16(19-14)12-7-10-5-6-18-9-11(10)8-13(12)17/h7-8,18H,5-6,9H2,1-4H3

Composition: C (65.01%), H (7.64%), B (3.90%), F (6.86%), N (5.05%), O (11.55%)

Molar Mass: 277.15

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.164937
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HIORSYOJFJDORC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.49
Topological Polar Surface Area 30.49
Polarizability 29.89
Ring Count 3
Rotatable Bond Count 1

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J&W PHARMLAB LLC
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Purity LeadTime Formula PacketSize UnitPrice
96% <2 Days C15H21BFNO2 $243.80-$8,047.70$243.80$373.75$687.70$1,147.70$2,162.00$8,047.70
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