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2-fluoro-5-methanesulfonylaniline

2-fluoro-5-methanesulfonylaniline

CAS: 387358-51-2

Formula: C7H8FNO2S

SMILES: CS(=O)(=O)C1=CC=C(F)C(N)=C1

IUPAC: 2-fluoro-5-methanesulfonylaniline

InChI: InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

Composition: C (44.44%), H (4.26%), F (10.04%), N (7.40%), O (16.91%), S (16.94%)

Molar Mass: 189.2

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.025977839
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NUBPBOIRQMDMNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.98
Topological Polar Surface Area 60.16
Polarizability 17.22
Ring Count 1
Rotatable Bond Count 1

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