2,6-DINITROTOLUENE-4-SULFONIC ACID 88-90-4 wiki

1.2 Synonyms: 2,6-dinitro-p-toluenesulfonic acid; 2,6-dinitro-p-toluenesulphonic acid; 2,6-Dinitro-toluol-4-sulfonsaeure; 3,5-DINITRO-4-METHYLBENZENE SULFONIC ACID; 3,5-Dinitro-4-methylbenzenesulfonic acid; 3,5-Dinitro-4-methylbenzenesulfonic acid 3,5-Dinitro-p-toluenesulfonic acid 4-Methyl-3,5-dinitrobenzenesulfonic acid; 3,5-DINITRO-P-TOLUENESULFONIC ACID; 4-methyl-3,5-dinitro-benzenesulfonicaci; Benzenesulfonic acid, 4-methyl-3,5-dinitro-; EINECS 201-866-4;

1.7 Inchi: InChI=1S/C7H6N2O7S/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)

98-59-9 190 Suppliers

88-90-4 5 Suppliers

88-72-2 80 Suppliers

88-90-4 5 Suppliers

3. Precursor and Product

precursor:

98-59-9

88-72-2

4. Computed Properties

Molecular Weight：262.19674g/mol
Molecular Formula：C₇H₆N₂O₇S
Compound Is Canonicalized：True
XLogP3-AA：261.98957171
Monoisotopic Mass：261.98957171
Complexity：393
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：154
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBjOABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAQECAAADAiBWAAywYAQQIKBAiRCQ3DCAEAgAgAgiBgAZIoIICKA0dGAIARggAAIyAcQgAAOEAAAACQCAAAgAAAASAQAAAAAAAAAAA==