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Home > Fluorides > 236739-04-1
236739-04-1 | 2,3,6-Trifluorophenylmethylsulfone
CAS No: 236739-04-1 Catalog No: AG01EUL1 MDL No:MFCD12922563
Product Description
Catalog Number:
AG01EUL1
Chemical Name:
2,3,6-Trifluorophenylmethylsulfone
CAS Number:
236739-04-1
Molecular Formula:
C7H5F3O2S
Molecular Weight:
210.1736
MDL Number:
MFCD12922563
IUPAC Name:
1,2,4-trifluoro-3-methylsulfonylbenzene
InChI:
InChI=1S/C7H5F3O2S/c1-13(11,12)7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChI Key:
WTCOYZMVHLPYDN-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1F)S(=O)(=O)C)F
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.17g/mol
Monoisotopic Mass:
209.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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