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2,3,4,5,6-pentafluorophenyl isoquinoline-1-sulfonate

2,3,4,5,6-pentafluorophenyl isoquinoline-1-sulfonate

Formula: C15H6F5NO3S

SMILES: FC1=C(F)C(F)=C(OS(=O)(=O)C2=NC=CC3=CC=CC=C23)C(F)=C1F

IUPAC: 2,3,4,5,6-pentafluorophenyl isoquinoline-1-sulfonate

InChI: InChI=1S/C15H6F5NO3S/c16-9-10(17)12(19)14(13(20)11(9)18)24-25(22,23)15-8-4-2-1-3-7(8)5-6-21-15/h1-6H

Composition: C (48.01%), H (1.61%), F (25.31%), N (3.73%), O (12.79%), S (8.54%)

Molar Mass: 375.27

Atom Count: 31

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 374.998855046
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YFCMXWMRTIRMRC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.63
Topological Polar Surface Area 56.26
Polarizability 30.13
Ring Count 3
Rotatable Bond Count 3

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J&W PHARMLAB LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C15H6F5NO3S $966.00-$5,612.00$966.00$1,587.00$5,612.00
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