Benzeneacetonitrile, 4-(methylsulfonyl)-


Chemical Name: Benzeneacetonitrile, 4-(methylsulfonyl)-
CAS Number: 25025-07-4
Product Number: AG006XQG(AGN-PC-0KKOAR)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2S
Molecular Weight: 195.2383

Identification/Properties


Computed Properties
Molecular Weight:
195.236g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
195.035g/mol
Monoisotopic Mass:
195.035g/mol
Topological Polar Surface Area:
66.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
298
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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