chempirical

5-(Chlorosulfonyl)-2-hydroxybenzoic acid

C7H5ClO5SCAS 17243-13-9236.62 g/mol

Open in Covalent MOL file
SOOClOOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C7H5ClO5S
Molar mass
236.62 g/mol
Exact mass
235.9546 Da
logP
1.02Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17243-13-9
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)O
InChIKey
SJXHSFSHNKFRLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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Names and synonyms

1 names
  • 5-Chlorosulfonyl-2-hydroxybenzoic acid

Work with 5-(Chlorosulfonyl)-2-hydroxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(Chlorosulphonyl)-2-fluorobenzoic acid37098-75-267 % similar 5-Sulfosalicylic acid97-05-266 % similar Sulfosalicylic acid dihydrate5965-83-361 % similar 4-(Chlorosulfonyl)benzoic acid10130-89-957 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-656 % similar 5-Chlorosalicylic acid321-14-255 % similar 3-(Chlorosulfonyl)benzoic acid4025-64-355 % similar Gentisic acid490-79-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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