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4210-04-2 | 1-(Methylsulfonyl)-3,5-bis(trifluoromethyl)benzene
CAS No: 4210-04-2 Catalog No: AG01EVWL MDL No:MFCD03789189
Product Description
Catalog Number:
AG01EVWL
Chemical Name:
1-(Methylsulfonyl)-3,5-bis(trifluoromethyl)benzene
CAS Number:
4210-04-2
Molecular Formula:
C9H6F6O2S
Molecular Weight:
292.1982
MDL Number:
MFCD03789189
IUPAC Name:
1-methylsulfonyl-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F6O2S/c1-18(16,17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4H,1H3
InChI Key:
JSWDSUSIZLJDNQ-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)S(=O)(=O)C)C(F)(F)F)(F)F
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.999g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.195g/mol
Monoisotopic Mass:
291.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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