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2944-16-3 | 9,10-Anthracenedione, 1,5-bis[(4-methoxyphenyl)amino]-
CAS No: 2944-16-3 Catalog No: AG002YE3 MDL No:
Product Description
Catalog Number:
AG002YE3
Chemical Name:
9,10-Anthracenedione, 1,5-bis[(4-methoxyphenyl)amino]-
CAS Number:
2944-16-3
Molecular Formula:
C28H22N2O4
Molecular Weight:
450.4853
IUPAC Name:
1,5-bis(4-methoxyanilino)anthracene-9,10-dione
InChI:
InChI=1S/C28H22N2O4/c1-33-19-13-9-17(10-14-19)29-23-7-3-5-21-25(23)27(31)22-6-4-8-24(26(22)28(21)32)30-18-11-15-20(34-2)16-12-18/h3-16,29-30H,1-2H3
InChI Key:
ATQNDVLUWRUMEA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)Nc1ccc(cc1)OC
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.158g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.494g/mol
Monoisotopic Mass:
450.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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