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Home > Nitro Compounds > 128-88-1
128-88-1 | 9,10-Anthracenedione, 1,1'-iminobis[4-nitro-
CAS No: 128-88-1 Catalog No: AG000XOD MDL No:
Product Description
Catalog Number:
AG000XOD
Chemical Name:
9,10-Anthracenedione, 1,1'-iminobis[4-nitro-
CAS Number:
128-88-1
Molecular Formula:
C28H13N3O8
Molecular Weight:
519.4181
IUPAC Name:
1-nitro-4-[(4-nitro-9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
InChI:
InChI=1S/C28H13N3O8/c32-25-13-5-1-3-7-15(13)27(34)23-19(30(36)37)11-9-17(21(23)25)29-18-10-12-20(31(38)39)24-22(18)26(33)14-6-2-4-8-16(14)28(24)35/h1-12,29H
InChI Key:
NCGPNEIWMXIRRC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)[N+](=O)[O-]
EC Number:
204-915-8
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.07g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
519.425g/mol
Monoisotopic Mass:
519.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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