Home Sulfos 2-Fluoro-5-(methylsulfonyl)toluene

2-Fluoro-5-(methylsulfonyl)toluene

CAS No.:
828270-58-2
Catalog Number:
AG003H9T
Molecular Formula:
C8H9FO2S
Molecular Weight:
188.2193
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Product Description
Catalog Number:
AG003H9T
Chemical Name:
2-Fluoro-5-(methylsulfonyl)toluene
CAS Number:
828270-58-2
Molecular Formula:
C8H9FO2S
Molecular Weight:
188.2193
MDL Number:
MFCD15527249
IUPAC Name:
1-fluoro-2-methyl-4-methylsulfonylbenzene
InChI:
InChI=1S/C8H9FO2S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5H,1-2H3
InChI Key:
DCBXIJWSGFNBFS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C)S(=O)(=O)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.216g/mol
Monoisotopic Mass:
188.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties