Acetonitrile, [[(4-methylphenyl)sulfonyl]oxy]-


Chemical Name: Acetonitrile, [[(4-methylphenyl)sulfonyl]oxy]-
CAS Number: 14562-04-0
Product Number: AG001D8J(AGN-PC-0JLV57)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3S
Molecular Weight: 211.2377

Identification/Properties


Computed Properties
Molecular Weight:
211.235g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
211.03g/mol
Monoisotopic Mass:
211.03g/mol
Topological Polar Surface Area:
75.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
314
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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