Home Sulfos 2-(Methylsulfonyl)-5-(trifluoromethyl)benzonitrile

2-(Methylsulfonyl)-5-(trifluoromethyl)benzonitrile

CAS No.:
1361385-30-9
Catalog Number:
AG00HUHF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00HUHF
Chemical Name:
2-(Methylsulfonyl)-5-(trifluoromethyl)benzonitrile
CAS Number:
1361385-30-9
MDL Number:
MFCD21606312
IUPAC Name:
2-methylsulfonyl-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO2S/c1-16(14,15)8-3-2-7(9(10,11)12)4-6(8)5-13/h2-4H,1H3
InChI Key:
LWMHTNWNGBLUTB-UHFFFAOYSA-N
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.207g/mol
Monoisotopic Mass:
249.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties