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1208076-08-7 | 4-Chloro-2,6-difluorophenylmethylsulfone
CAS No: 1208076-08-7 Catalog No: AG01FBX0 MDL No:MFCD12922630
Product Description
Catalog Number:
AG01FBX0
Chemical Name:
4-Chloro-2,6-difluorophenylmethylsulfone
CAS Number:
1208076-08-7
Molecular Formula:
C7H5ClF2O2S
Molecular Weight:
226.6282
MDL Number:
MFCD12922630
IUPAC Name:
5-chloro-1,3-difluoro-2-methylsulfonylbenzene
InChI:
InChI=1S/C7H5ClF2O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChI Key:
YBOSXMIKIAQNBT-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1S(=O)(=O)C)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.622g/mol
Monoisotopic Mass:
225.967g/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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