Home Other Building Blocks 1-methyl-3-trifluoromethanesulfinylbenzene

1-methyl-3-trifluoromethanesulfinylbenzene

CAS No.:
1178899-45-0
Catalog Number:
AG01C27R
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
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Product Description
Catalog Number:
AG01C27R
Chemical Name:
1-methyl-3-trifluoromethanesulfinylbenzene
CAS Number:
1178899-45-0
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
MDL Number:
MFCD29762689
IUPAC Name:
1-methyl-3-(trifluoromethylsulfinyl)benzene
InChI:
InChI=1S/C8H7F3OS/c1-6-3-2-4-7(5-6)13(12)8(9,10)11/h2-5H,1H3
InChI Key:
MJYMQSHSFHXPIP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)C(F)(F)F
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.198g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties