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5-methanesulfonyl-2-methoxyaniline

5-methanesulfonyl-2-methoxyaniline

CAS: 20945-70-4

Formula: C8H11NO3S

SMILES: COC1=CC=C(C=C1N)S(C)(=O)=O

IUPAC: 5-methanesulfonyl-2-methoxyaniline

InChI: InChI=1S/C8H11NO3S/c1-12-8-4-3-6(5-7(8)9)13(2,10)11/h3-5H,9H2,1-2H3

Composition: C (47.75%), H (5.51%), N (6.96%), O (23.85%), S (15.93%)

Molar Mass: 201.24

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.045964392
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VHPBBGKGMPAVPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.23
Topological Polar Surface Area 69.39
Polarizability 20
Ring Count 1
Rotatable Bond Count 2

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