chempirical

Methyl o-(chlorosulfonyl)benzoate

C8H7ClO4SCAS 26638-43-7234.65 g/mol

Open in Covalent MOL file
OOSOOCl
Ester

Properties

Molecular formula
C8H7ClO4S
Molar mass
234.65 g/mol
Exact mass
233.9754 Da
logP
1.40Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
26638-43-7
SMILES
COC(=O)c1ccccc1S(=O)(=O)Cl
InChIKey
HUNUAFNLLYVTQD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3

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Names and synonyms

8 names
  • Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
  • Benzoic acid, o-(chlorosulfonyl)-, methyl ester
  • o-(Methoxycarbonyl)benzenesulfonyl chloride
  • o-(Carbomethoxy)benzenesulfonyl chloride
  • 2-(Methoxycarbonyl)benzenesulfonyl chloride
  • Methyl 2-(chlorosulfonyl)benzoate
  • 2-(Carbomethoxy)benzenesulfonyl chloride
  • 2-Chlorosulfonylbenzoic acid methyl ester

Work with Methyl o-(chlorosulfonyl)benzoate

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

Methyl 2-(aminosulfonyl)benzoate57683-71-363 % similar Dimethyl phthalate131-11-359 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-756 % similar Methyl 2-chlorobenzoate610-96-854 % similar Methyl 2-bromobenzoate610-94-651 % similar Methyl 2-methylbenzoate89-71-451 % similar 2-Methoxybenzenesulfonyl chloride10130-87-750 % similar Methyl salicylate119-36-850 % similar

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

Same formula

2-Chloro-4-(methylsulfonyl)benzoic acid53250-83-2 Methyl benzoate-3-sulfonyl chloride63555-50-0

Elsewhere

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