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88600-57-1 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-fluorophenoxy)-
CAS No: 88600-57-1 Catalog No: AG004ANO MDL No:
Product Description
Catalog Number:
AG004ANO
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-fluorophenoxy)-
CAS Number:
88600-57-1
Molecular Formula:
C26H18F2N4O4
Molecular Weight:
488.4423
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(3-fluorophenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C26H18F2N4O4/c27-11-3-1-5-13(7-11)35-17-9-15(29)19-21(23(17)31)26(34)22-20(25(19)33)16(30)10-18(24(22)32)36-14-6-2-4-12(28)8-14/h1-10H,29-32H2
InChI Key:
GLLGRVUJQJBYAU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1cccc(c1)F
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.13g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
488.451g/mol
Monoisotopic Mass:
488.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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