5-(Acetylamino)-2-methoxybenzenesulfonyl fluoride

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Basic information

CAS: 781-88-4
Standard SMILES: COc1ccc(NC(C)=O)cc1S(=O)(=O)F
InChIKey: XFVROKNKBOFKJS-UHFFFAOYSA-N
Molecular formula: C9H10FNO4S
Average molar mass: 247.25 g/mol
Monoisotopic mass: 247.03145714

Names & identifiers

Preferred name: 5-(Acetylamino)-2-methoxybenzenesulfonyl fluoride
IUPAC: 5-acetamido-2-methoxybenzenesulfonyl fluoride

Names & synonyms

781-88-45-Acetamido-2-methoxybenzene-1-sulfonyl fluoride5-(acetylamino)-2-methoxybenzenesulfonyl fluorideNSC160928starbld0019169DTXSID90303754NSC-160928EN300-726939

Database identifiers

CAS: 781-88-4
PubChem CID: 293789
DTXSID: DTXSID90303754

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 351

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Compound notes

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