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88605-36-1 | 9,10-Anthracenedione, 1,4-diamino-2-([1,1'-biphenyl]-4-yloxy)-7-chloro-
CAS No: 88605-36-1 Catalog No: AG004AJX MDL No:
Product Description
Catalog Number:
AG004AJX
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-2-([1,1'-biphenyl]-4-yloxy)-7-chloro-
CAS Number:
88605-36-1
Molecular Formula:
C26H17ClN2O3
Molecular Weight:
440.8778
IUPAC Name:
1,4-diamino-7-chloro-2-(4-phenylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C26H17ClN2O3/c27-16-8-11-18-19(12-16)26(31)23-22(25(18)30)20(28)13-21(24(23)29)32-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13H,28-29H2
InChI Key:
ZGYIHQDNWOEXCH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.093g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.883g/mol
Monoisotopic Mass:
440.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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