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Home > Fluorides > 177551-63-2
177551-63-2 | 1,1'-Biphenyl, 4-[(trifluoromethyl)thio]-
CAS No: 177551-63-2 Catalog No: AG0025DW MDL No:
Product Description
Catalog Number:
AG0025DW
Chemical Name:
1,1'-Biphenyl, 4-[(trifluoromethyl)thio]-
CAS Number:
177551-63-2
Molecular Formula:
C13H9F3S
Molecular Weight:
254.2708
IUPAC Name:
1-phenyl-4-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C13H9F3S/c14-13(15,16)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
SEPQBZDCWHISRJ-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)c1ccccc1)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.27g/mol
Monoisotopic Mass:
254.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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