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1-fluoro-4-methyl-2-sulfopyridin-1-ium

1-fluoro-4-methyl-2-sulfopyridin-1-ium

CAS: 147540-88-3

Formula: C6H7FNO3S

SMILES: CC1=CC=[N+](F)C(=C1)S(O)(=O)=O

IUPAC: 1-fluoro-4-methyl-2-sulfopyridin-1-ium

InChI: InChI=1S/C6H6FNO3S/c1-5-2-3-8(7)6(4-5)12(9,10)11/h2-4H,1H3/p+1

Composition: C (37.50%), H (3.67%), F (9.89%), N (7.29%), O (24.97%), S (16.68%)

Molar Mass: 192.18

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.012518847
Formal Charge 1
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CZLMNRIAOUVXNU-UHFFFAOYSA-O
Lipinski's Rule of Five 1
Molar Refractivity 42.19
Topological Polar Surface Area 58.25
Polarizability 15.91
Ring Count 1
Rotatable Bond Count 1

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