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Home > Nitro Compounds > 83889-66-1
83889-66-1 | 1,4-Benzenedicarboxamide, N,N'-bis(2,4-dinitrophenyl)-
CAS No: 83889-66-1 Catalog No: AG00544B MDL No:
Product Description
Catalog Number:
AG00544B
Chemical Name:
1,4-Benzenedicarboxamide, N,N'-bis(2,4-dinitrophenyl)-
CAS Number:
83889-66-1
Molecular Formula:
C20H12N6O10
Molecular Weight:
496.3435
IUPAC Name:
1-N,4-N-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide
InChI:
InChI=1S/C20H12N6O10/c27-19(21-15-7-5-13(23(29)30)9-17(15)25(33)34)11-1-2-12(4-3-11)20(28)22-16-8-6-14(24(31)32)10-18(16)26(35)36/h1-10H,(H,21,27)(H,22,28)
InChI Key:
WXZHCXCEWPJJHN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
813
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.061g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.348g/mol
Monoisotopic Mass:
496.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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