1-Chloro-4-(methylsulfonyl)-2-nitrobenzene

C₇H₆ClNO₄SCAS 97-07-4235.64 g/mol

Open in Covalent MOL file

Halogen Nitro Sulfone Tertiary Amine

Properties

Molecular formula: C₇H₆ClNO₄S
Molar mass: 235.64 g/mol
Exact mass: 234.9706 Da
Melting point: 119–120 °C
logP: 1.65Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

97-07-4

SMILES

CS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

JAANTSGNTKWLFA-UHFFFAOYSA-N

InChI

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

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Names and synonyms

8 names

Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-
Sulfone, 4-chloro-3-nitrophenyl methyl
4-Chloro-3-nitrophenyl methyl sulfone
3-Nitro-4-chlorophenyl methyl sulfone
4-(Methylsulfonyl)-2-nitrochlorobenzene
2-Chloro-5-(methylsulfonyl)-1-nitrobenzene
NSC 25818
1-Chloro-4-methanesulfonyl-2-nitrobenzene

Work with 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene

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 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-8 4-Nitrobenzenemethanesulfonyl chloride4025-75-6 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-1 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-1

Elsewhere

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