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Home > Fluorides > 145963-48-0
145963-48-0 | Benzene, 1-(methylsulfonyl)-4-(trifluoromethyl)-
CAS No: 145963-48-0 Catalog No: AG001DJS MDL No:MFCD03789180
Product Description
Catalog Number:
AG001DJS
Chemical Name:
Benzene, 1-(methylsulfonyl)-4-(trifluoromethyl)-
CAS Number:
145963-48-0
Molecular Formula:
C8H7F3O2S
Molecular Weight:
224.2002
MDL Number:
MFCD03789180
IUPAC Name:
1-methylsulfonyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3O2S/c1-14(12,13)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChI Key:
JKBCENKBTQPCCH-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)S(=O)(=O)C)(F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.197g/mol
Monoisotopic Mass:
224.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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