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Home > Fluorides > 858369-43-4
858369-43-4 | 4H-1-Benzopyran-4-one, 6-methyl-3-(2,2,3,3-tetrafluoro-1-oxopropyl)-
CAS No: 858369-43-4 Catalog No: AG004O89 MDL No:
Product Description
Catalog Number:
AG004O89
Chemical Name:
4H-1-Benzopyran-4-one, 6-methyl-3-(2,2,3,3-tetrafluoro-1-oxopropyl)-
CAS Number:
858369-43-4
Molecular Formula:
C13H8F4O3
Molecular Weight:
288.1944
IUPAC Name:
6-methyl-3-(2,2,3,3-tetrafluoropropanoyl)chromen-4-one
InChI:
InChI=1S/C13H8F4O3/c1-6-2-3-9-7(4-6)10(18)8(5-20-9)11(19)13(16,17)12(14)15/h2-5,12H,1H3
InChI Key:
GGRUZVOOVDALKB-UHFFFAOYSA-N
SMILES:
FC(C(C(=O)c1coc2c(c1=O)cc(cc2)C)(F)F)F
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.198g/mol
Monoisotopic Mass:
288.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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