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Home > Fluorides > 127590-86-7
127590-86-7 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS No: 127590-86-7 Catalog No: AG000X6G MDL No:
Product Description
Catalog Number:
AG000X6G
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
127590-86-7
Molecular Formula:
C16H9F3O3
Molecular Weight:
306.2361
IUPAC Name:
7-hydroxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
InChI:
InChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-9(2-4-10)14-8-13(21)12-6-5-11(20)7-15(12)22-14/h1-8,20H
InChI Key:
YXAVDUCTQODQKN-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(cc2=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.24g/mol
Monoisotopic Mass:
306.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and anticancer effect of B-ring trifluoromethylated flavonoids. | Bioorganic & medicinal chemistry letters 20031020 |
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