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10-methyl-9-(phenoxycarbonyl)acridin-10-ium sulfurofluoridate

10-methyl-9-(phenoxycarbonyl)acridin-10-ium sulfurofluoridate

CAS: 149300-54-9

Formula: C21H16FNO5S

SMILES: [O-]S(F)(=O)=O.C[N+]1=C2C=CC=CC2=C(C(=O)OC2=CC=CC=C2)C2=CC=CC=C12

IUPAC: 10-methyl-9-(phenoxycarbonyl)acridin-10-ium sulfurofluoridate

InChI: InChI=1S/C21H16NO2.FHO3S/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15;1-5(2,3)4/h2-14H,1H3;(H,2,3,4)/q+1;/p-1

Composition: C (61.01%), H (3.90%), F (4.60%), N (3.39%), O (19.35%), S (7.75%)

Molar Mass: 413.42

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 413.073321956
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DMGQABMILTYHNY-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 94.51
Topological Polar Surface Area 30.18
Polarizability 38.77
Ring Count 4
Rotatable Bond Count 3

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99.79% <7 Days 149300-54-9 $28.05-$598.40$28.05$69.19$111.27$233.75$374.00$598.40
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98% <6 Days 149300-54-9 $251.85-$586.50$251.85$347.30$586.50
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