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Home > Fluorides > 138508-63-1
138508-63-1 | Ethanol, 2-[[bis(4-fluorophenyl)methyl]thio]-
CAS No: 138508-63-1 Catalog No: AG0019C2 MDL No:
Product Description
Catalog Number:
AG0019C2
Chemical Name:
Ethanol, 2-[[bis(4-fluorophenyl)methyl]thio]-
CAS Number:
138508-63-1
Molecular Formula:
C15H14F2OS
Molecular Weight:
280.3329
IUPAC Name:
2-[bis(4-fluorophenyl)methylsulfanyl]ethanol
InChI:
InChI=1S/C15H14F2OS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChI Key:
BBYOLXAJJSQLQO-UHFFFAOYSA-N
SMILES:
OCCSC(c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.333g/mol
Monoisotopic Mass:
280.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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