5-cyano-2-methylbenzene-1-sulfonyl chloride


Chemical Name: 5-cyano-2-methylbenzene-1-sulfonyl chloride
CAS Number: 372198-49-7
Product Number: AG01AIHT(AGN-PC-0WAKX4)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNO2S
Molecular Weight: 215.6567

Identification/Properties


Computed Properties
Molecular Weight:
215.651g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
214.981g/mol
Monoisotopic Mass:
214.981g/mol
Topological Polar Surface Area:
66.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
324
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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