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Home > Fluorides > 145963-47-9
145963-47-9 | Benzene, 1-(methylsulfinyl)-4-(trifluoromethyl)-
CAS No: 145963-47-9 Catalog No: AG001DJT MDL No:
Product Description
Catalog Number:
AG001DJT
Chemical Name:
Benzene, 1-(methylsulfinyl)-4-(trifluoromethyl)-
CAS Number:
145963-47-9
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
IUPAC Name:
1-methylsulfinyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3OS/c1-13(12)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChI Key:
TYBJALVBFFKCCZ-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
194
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:
1.9
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