Home Sulfos Benzonitrile, 4-(phenylsulfonyl)-

Benzonitrile, 4-(phenylsulfonyl)-

CAS No.:
28525-13-5
Catalog Number:
AG002VMY
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
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Product Description
Catalog Number:
AG002VMY
Chemical Name:
Benzonitrile, 4-(phenylsulfonyl)-
CAS Number:
28525-13-5
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
MDL Number:
MFCD00159171
IUPAC Name:
4-(benzenesulfonyl)benzonitrile
InChI:
InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H
InChI Key:
LJGXGJNDLQYPQK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties