2-Methyl-5-nitrobenzenesulfonyl chloride

C₇H₆ClNO₄SCAS 121-02-8235.64 g/mol

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Properties

Molecular formula: C₇H₆ClNO₄S
Molar mass: 235.64 g/mol
Exact mass: 234.9706 Da
Melting point: 42–44.5 °C
Boiling point: 195–198 °C (at 20 Torr)
logP: 1.83Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

121-02-8

SMILES

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl

InChIKey

WPGVQDHXOUAJBW-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3

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Names and synonyms

6 names

Benzenesulfonyl chloride, 2-methyl-5-nitro-
o-Toluenesulfonyl chloride, 5-nitro-
5-Nitro-o-toluenesulfonyl chloride
2-Methyl-5-nitrophenylsulfonyl chloride
NSC 49752
2-Methyl-5-nitrobenzene-1-sulfonyl chloride

Work with 2-Methyl-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

Same formula

4-Chloro-3-sulfamoylbenzoic acid1205-30-7 4-Nitrobenzenemethanesulfonyl chloride4025-75-6 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-1 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-1 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-4

Elsewhere

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