dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid

C7H5Cl2FO4S — CID 174555933

IUPACdichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(F)c(O)c1.[O-][S+](Cl)Cl
InChIInChI=1S/C7H5FO3.Cl2OS/c8-5-2-1-4(7(10)11)3-6(5)9;1-4(2)3/h1-3,9H,(H,10,11);
InChIKeyMOEKXHONPFHZHW-UHFFFAOYSA-N
MW275.08 g/mol
LogP2.27
Rot. Bonds1

About dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid

dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid (PubChem CID 174555933) has the molecular formula C7H5Cl2FO4S and a molecular weight of 275.08 g/mol. Its IUPAC name is dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid.

Molecular Properties

Compound Namedichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid
PubChem CID174555933
Molecular FormulaC7H5Cl2FO4S
Molecular Weight275.08 g/mol
Exact Mass273.93
IUPAC Namedichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(F)c(O)c1.[O-][S+](Cl)Cl
InChIInChI=1S/C7H5FO3.Cl2OS/c8-5-2-1-4(7(10)11)3-6(5)9;1-4(2)3/h1-3,9H,(H,10,11);
InChIKeyMOEKXHONPFHZHW-UHFFFAOYSA-N
XLogP2.27
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
calcium bis(4-carboxy-2-hydroxyphenolate)
CID 68865132
4-chloro-3-fluorobenzoic acid
CID 2736536
2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
CID 126970439
4-carbonochloridoyl-3-hydroxybenzoic acid
CID 21397011
4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
CID 114103570
4-(3-chloro-2-oxopropyl)-3-hydroxybenzoic acid
CID 118812643
4-fluoro-3-propylbenzoic acid
CID 11745258
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649

Frequently Asked Questions

What is the IUPAC name of dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid?
The IUPAC name of dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid (CID 174555933) is dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid.
What is the SMILES notation for dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid?
The canonical SMILES for dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid is O=C(O)c1ccc(F)c(O)c1.[O-][S+](Cl)Cl.
What is the InChIKey of dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid?
The InChIKey is MOEKXHONPFHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO3.Cl2OS/c8-5-2-1-4(7(10)11)3-6(5)9;1-4(2)3/h1-3,9H,(H,10,11);.
What are the key properties of dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid?
dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid has a molecular weight of 275.08 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(oxido)sulfanium;4-fluoro-3-hydroxybenzoic acid is sourced from PubChem (CID 174555933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).