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89791-40-2 | 1,4-Benzenedicarboxamide, N,N'-bis(4-amino-3-nitrophenyl)-
CAS No: 89791-40-2 Catalog No: AG003ZDY MDL No:
Product Description
Catalog Number:
AG003ZDY
Chemical Name:
1,4-Benzenedicarboxamide, N,N'-bis(4-amino-3-nitrophenyl)-
CAS Number:
89791-40-2
Molecular Formula:
C20H16N6O6
Molecular Weight:
436.3776
IUPAC Name:
1-N,4-N-bis(4-amino-3-nitrophenyl)benzene-1,4-dicarboxamide
InChI:
InChI=1S/C20H16N6O6/c21-15-7-5-13(9-17(15)25(29)30)23-19(27)11-1-2-12(4-3-11)20(28)24-14-6-8-16(22)18(10-14)26(31)32/h1-10H,21-22H2,(H,23,27)(H,24,28)
InChI Key:
YQXFZHAREZIIFG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])N)Nc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.113g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
436.384g/mol
Monoisotopic Mass:
436.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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