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[N-(2,4-difluorophenyl)methanesulfonamido]acetic acid

[N-(2,4-difluorophenyl)methanesulfonamido]acetic acid

CAS: 1018639-78-5

Formula: C9H9F2NO4S

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

IUPAC: 2-[N-(2,4-difluorophenyl)methanesulfonamido]acetic acid

InChI: InChI=1S/C9H9F2NO4S/c1-17(15,16)12(5-9(13)14)8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,13,14)

Composition: C (40.76%), H (3.42%), F (14.33%), N (5.28%), O (24.13%), S (12.09%)

Molar Mass: 265.23

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 265.022035274
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XXBFJYNCLFPFEA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.16
Topological Polar Surface Area 74.68
Polarizability 21.39
Ring Count 1
Rotatable Bond Count 3

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