Home Sulfos 4-(ethanesulfonyl)benzonitrile

4-(ethanesulfonyl)benzonitrile

CAS No.:
409112-19-2
Catalog Number:
AG01BDGH
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
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Product Description
Catalog Number:
AG01BDGH
Chemical Name:
4-(ethanesulfonyl)benzonitrile
CAS Number:
409112-19-2
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD11052975
IUPAC Name:
4-ethylsulfonylbenzonitrile
InChI:
InChI=1S/C9H9NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3
InChI Key:
AGEMDQAWPNGQLE-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)C#N
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties