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83426-56-6 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis(3-bromophenoxy)-
CAS No: 83426-56-6 Catalog No: AG0053ZW MDL No:
Product Description
Catalog Number:
AG0053ZW
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis(3-bromophenoxy)-
CAS Number:
83426-56-6
Molecular Formula:
C26H18Br2N4O4
Molecular Weight:
610.2535
IUPAC Name:
1,4,5,8-tetraamino-2,6-bis(3-bromophenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C26H18Br2N4O4/c27-11-3-1-5-13(7-11)35-17-9-15(29)19-21(23(17)31)25(33)20-16(30)10-18(24(32)22(20)26(19)34)36-14-6-2-4-12(28)8-14/h1-10H,29-32H2
InChI Key:
GKAVFQHPPOVPOY-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)c(cc1N)Oc1cccc(c1)Br
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
609.967g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
610.262g/mol
Monoisotopic Mass:
607.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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