chempirical

2-Chloro-5-nitrobenzenesulfonyl chloride

C6H3Cl2NO4SCAS 4533-95-3256.05 g/mol

Open in Covalent MOL file
ON+O−ClSOOCl
Aryl halideNitro

Properties

Molecular formula
C6H3Cl2NO4S
Molar mass
256.05 g/mol
Exact mass
254.9160 Da
Melting point
89 °C
logP
2.18Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
4533-95-3
SMILES
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIKey
COZWQPZDKVIVFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H

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Names and synonyms

5 names
  • Benzenesulfonyl chloride, 2-chloro-5-nitro-
  • 2-Chloro-5-nitrophenylsulfonyl chloride
  • 6-Chloro-3-nitrobenzenesulfonyl chloride
  • NSC 350627
  • 2-Chloro-5-nitrobenzene-1-sulfonyl chloride

Work with 2-Chloro-5-nitrobenzenesulfonyl chloride

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

2-Methyl-5-nitrobenzenesulfonyl chloride121-02-867 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-067 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-167 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-666 % similar 2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-565 % similar 1,2-Dichloro-4-nitrobenzene99-54-760 % similar 3-Nitrobenzenesulfonyl chloride121-51-759 % similar 2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-258 % similar

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

Same formula

4-Chloro-3-nitrobenzenesulfonyl chloride97-08-5

Elsewhere

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