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Home > Fluorides > 163082-41-5
163082-41-5 | Ethanone, 2,2,2-trifluoro-1-(9-phenanthrenyl)-
CAS No: 163082-41-5 Catalog No: AG001TOX MDL No:
Product Description
Catalog Number:
AG001TOX
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(9-phenanthrenyl)-
CAS Number:
163082-41-5
Molecular Formula:
C16H9F3O
Molecular Weight:
274.2373
IUPAC Name:
2,2,2-trifluoro-1-phenanthren-9-ylethanone
InChI:
InChI=1S/C16H9F3O/c17-16(18,19)15(20)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChI Key:
CTTFSYLJTVALDE-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc2ccccc2c2c1cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.242g/mol
Monoisotopic Mass:
274.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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