chempirical

2-Methoxy-4-nitrobenzenesulfonyl chloride

C7H6ClNO5SCAS 21320-91-2251.64 g/mol

Open in Covalent MOL file
ON+OO−SOOCl
EtherNitro

Properties

Molecular formula
C7H6ClNO5S
Molar mass
251.64 g/mol
Exact mass
250.9655 Da
logP
1.53Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
21320-91-2
SMILES
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl
InChIKey
QECYXMKYZQXEHM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3

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Names and synonyms

4 names
  • Benzenesulfonyl chloride, 2-methoxy-4-nitro-
  • NSC 211731
  • 4-Nitro-2-methoxybenzenesulfonyl chloride
  • 2-Methoxy-4-nitrobenzene-1-sulfonyl chloride

Work with 2-Methoxy-4-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

2,4-Dinitrobenzenesulfonyl chloride1656-44-663 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-162 % similar 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-860 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-560 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-259 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-358 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-957 % similar 2-Methoxy-4-nitroaniline97-52-957 % similar

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

Same formula

5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic acid14556-98-0

Elsewhere

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