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88605-18-9 | 9,10-Anthracenedione, 1,4-diamino-6-chloro-2-(2-chlorophenoxy)-
CAS No: 88605-18-9 Catalog No: AG004CHC MDL No:
Product Description
Catalog Number:
AG004CHC
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-6-chloro-2-(2-chlorophenoxy)-
CAS Number:
88605-18-9
Molecular Formula:
C20H12Cl2N2O3
Molecular Weight:
399.2269
IUPAC Name:
1,4-diamino-6-chloro-2-(2-chlorophenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C20H12Cl2N2O3/c21-9-5-6-10-11(7-9)20(26)16-13(23)8-15(18(24)17(16)19(10)25)27-14-4-2-1-3-12(14)22/h1-8H,23-24H2
InChI Key:
HSEOKPFBDBBAGL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(N)c(cc1N)Oc1ccccc1Cl
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.022g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.227g/mol
Monoisotopic Mass:
398.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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