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N-(2-cyanophenyl)-N-methanesulfonylmethanesulfonamide

N-(2-cyanophenyl)-N-methanesulfonylmethanesulfonamide

CAS: 235100-91-1

Formula: C9H10N2O4S2

SMILES: CS(=O)(=O)N(C1=CC=CC=C1C#N)S(C)(=O)=O

IUPAC: N-(2-cyanophenyl)-N-methanesulfonylmethanesulfonamide

InChI: InChI=1S/C9H10N2O4S2/c1-16(12,13)11(17(2,14)15)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3

Composition: C (39.41%), H (3.67%), N (10.21%), O (23.33%), S (23.38%)

Molar Mass: 274.31

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 274.008199158
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey WQIXEXYWRAYERZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.63
Topological Polar Surface Area 95.31
Polarizability 25.42
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 235100-91-1 $81.77-$373.64$81.77$373.64
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 235100-91-1 $138.00-$514.05$138.00$514.05
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