3-methyl-4-nitrobenzene-1-sulfonyl chloride


Chemical Name: 3-methyl-4-nitrobenzene-1-sulfonyl chloride
CAS Number: 78726-75-7
Product Number: AG01AIIF(AG01AIIF)
Synonyms:
MDL No:
Molecular Formula: C7H6ClNO4S
Molecular Weight: 235.6448

Identification/Properties


Computed Properties
Molecular Weight:
235.638g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
234.971g/mol
Monoisotopic Mass:
234.971g/mol
Topological Polar Surface Area:
88.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
318
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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