Home Sulfos 4-(1-methanesulfonylcyclopropyl)benzonitrile

4-(1-methanesulfonylcyclopropyl)benzonitrile

CAS No.:
1893794-73-4
Catalog Number:
AG01CA64
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
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Product Description
Catalog Number:
AG01CA64
Chemical Name:
4-(1-methanesulfonylcyclopropyl)benzonitrile
CAS Number:
1893794-73-4
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD31456970
IUPAC Name:
4-(1-methylsulfonylcyclopropyl)benzonitrile
InChI:
InChI=1S/C11H11NO2S/c1-15(13,14)11(6-7-11)10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChI Key:
KKUCBIWUMWUPMF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(CC1)S(=O)(=O)C
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties