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88600-60-6 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-chlorophenoxy)-
CAS No: 88600-60-6 Catalog No: AG004ANN MDL No:
Product Description
Catalog Number:
AG004ANN
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-chlorophenoxy)-
CAS Number:
88600-60-6
Molecular Formula:
C26H18Cl2N4O4
Molecular Weight:
521.3515
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-chlorophenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C26H18Cl2N4O4/c27-11-1-5-13(6-2-11)35-17-9-15(29)19-21(23(17)31)26(34)22-20(25(19)33)16(30)10-18(24(22)32)36-14-7-3-12(28)4-8-14/h1-10H,29-32H2
InChI Key:
BZYNMOKJVUGRKJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)Cl
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.071g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
521.354g/mol
Monoisotopic Mass:
520.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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