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Home > Fluorides > 209736-57-2
209736-57-2 | 2H-1-Benzopyran-2-one, 3-acetyl-5,6,7,8-tetrafluoro-4-hydroxy-
CAS No: 209736-57-2 Catalog No: AG002KE8 MDL No:
Product Description
Catalog Number:
AG002KE8
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-5,6,7,8-tetrafluoro-4-hydroxy-
CAS Number:
209736-57-2
Molecular Formula:
C11H4F4O4
Molecular Weight:
276.1407
IUPAC Name:
3-acetyl-5,6,7,8-tetrafluoro-4-hydroxychromen-2-one
InChI:
InChI=1S/C11H4F4O4/c1-2(16)3-9(17)4-5(12)6(13)7(14)8(15)10(4)19-11(3)18/h17H,1H3
InChI Key:
NZSQIIGIIDEAKD-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(F)c2c(c1F)c(O)c(c(=O)o2)C(=O)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.143g/mol
Monoisotopic Mass:
276.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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