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Home > Fluorides > 131401-54-2
131401-54-2 | 9,10-Anthracenedione, 1,4-difluoro-5,8-dihydroxy-
CAS No: 131401-54-2 Catalog No: AG000W4H MDL No:
Product Description
Catalog Number:
AG000W4H
Chemical Name:
9,10-Anthracenedione, 1,4-difluoro-5,8-dihydroxy-
CAS Number:
131401-54-2
Molecular Formula:
C14H6F2O4
Molecular Weight:
276.1918
IUPAC Name:
1,4-difluoro-5,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H6F2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H
InChI Key:
KHRGWLXZUCITCL-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C(=O)c1c(F)ccc(c1C2=O)F)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.195g/mol
Monoisotopic Mass:
276.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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