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Home > Fluorides > 129700-38-5
129700-38-5 | 1,3-Propanedione, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-
CAS No: 129700-38-5 Catalog No: AG000TLM MDL No:
Product Description
Catalog Number:
AG000TLM
Chemical Name:
1,3-Propanedione, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-
CAS Number:
129700-38-5
Molecular Formula:
C16H11F3O2
Molecular Weight:
292.2525
IUPAC Name:
1-phenyl-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
InChI:
InChI=1S/C16H11F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(21)10-14(20)11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
KQACGQITPWZNMG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)CC(=O)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.257g/mol
Monoisotopic Mass:
292.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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