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19095-46-6 | 1H-Indene-1,3(2H)-dione, 2-phenyl-5-(trifluoromethyl)-
CAS No: 19095-46-6 Catalog No: AG002EXC MDL No:
Product Description
Catalog Number:
AG002EXC
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-phenyl-5-(trifluoromethyl)-
CAS Number:
19095-46-6
Molecular Formula:
C16H9F3O2
Molecular Weight:
290.2367
IUPAC Name:
2-phenyl-5-(trifluoromethyl)indene-1,3-dione
InChI:
InChI=1S/C16H9F3O2/c17-16(18,19)10-6-7-11-12(8-10)15(21)13(14(11)20)9-4-2-1-3-5-9/h1-8,13H
InChI Key:
XTPSGNQJWNLNMG-UHFFFAOYSA-N
SMILES:
O=C1C(c2ccccc2)C(=O)c2c1cc(cc2)C(F)(F)F
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.241g/mol
Monoisotopic Mass:
290.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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