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N-{[5-chloro-3-(trifluoromethyl)pyridin-2-yl]methyl}methanesulfonamide

N-{[5-chloro-3-(trifluoromethyl)pyridin-2-yl]methyl}methanesulfonamide

CAS: 2060751-75-7

Formula: C8H8ClF3N2O2S

SMILES: CS(=O)(=O)NCC1=NC=C(Cl)C=C1C(F)(F)F

IUPAC: N-{[5-chloro-3-(trifluoromethyl)pyridin-2-yl]methyl}methanesulfonamide

InChI: InChI=1S/C8H8ClF3N2O2S/c1-17(15,16)14-4-7-6(8(10,11)12)2-5(9)3-13-7/h2-3,14H,4H2,1H3

Composition: C (33.29%), H (2.79%), Cl (12.28%), F (19.74%), N (9.70%), O (11.08%), S (11.11%)

Molar Mass: 288.67

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 287.9947109
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JCASTVWPEKIIEN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.68
Topological Polar Surface Area 59.06
Polarizability 21.85
Ring Count 1
Rotatable Bond Count 3

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90% <2 Days 2060751-75-7 $51.35-$86.31$51.35$63.37$86.31
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