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Home > Fluorides > 101361-07-3
101361-07-3 | 3-Pentanone, 1,1,2-trifluoro-1-(phenylthio)-
CAS No: 101361-07-3 Catalog No: AG0004AO MDL No:
Product Description
Catalog Number:
AG0004AO
Chemical Name:
3-Pentanone, 1,1,2-trifluoro-1-(phenylthio)-
CAS Number:
101361-07-3
Molecular Formula:
C11H11F3OS
Molecular Weight:
248.2646
IUPAC Name:
1,1,2-trifluoro-1-phenylsulfanylpentan-3-one
InChI:
InChI=1S/C11H11F3OS/c1-2-9(15)10(12)11(13,14)16-8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChI Key:
BDNAOCUYNSIQFL-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C(Sc1ccccc1)(F)F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.263g/mol
Monoisotopic Mass:
248.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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