A1AEM

4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid

Created:	2024-02-12
Last modified:	2025-04-30

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1 entries where A1AEM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of A1AEM

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Chemical Component Summary
Name	4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	4-fluorosulfonylbenzoic acid
Formula	C₇ H₅ F O₄ S
Molecular Weight	204.176
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(F)(=O)c1ccc(cc1)C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)[S](F)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)O)S(=O)(=O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)[S](F)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)O)S(=O)(=O)F
InChI	InChI	1.06	InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey	InChI	1.06	DJUJJHDCOUPERR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	67998
ChEMBL	CHEMBL101626

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