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Home > Fluorides > 129922-49-2
129922-49-2 | 1,1'-Biphenyl, 2-[(trifluoromethyl)sulfinyl]-
CAS No: 129922-49-2 Catalog No: AG000TSI MDL No:
Product Description
Catalog Number:
AG000TSI
Chemical Name:
1,1'-Biphenyl, 2-[(trifluoromethyl)sulfinyl]-
CAS Number:
129922-49-2
Molecular Formula:
C13H9F3OS
Molecular Weight:
270.2702
IUPAC Name:
1-phenyl-2-(trifluoromethylsulfinyl)benzene
InChI:
InChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChI Key:
CLDLXLKMMYJIEK-UHFFFAOYSA-N
SMILES:
O=S(C(F)(F)F)c1ccccc1c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.269g/mol
Monoisotopic Mass:
270.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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