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Home > Nitro Compounds > 78411-60-6
78411-60-6 | Benzamide,2-nitro-N-(4-nitrophenyl)-
CAS No: 78411-60-6 Catalog No: AG005BE5 MDL No:
Product Description
Catalog Number:
AG005BE5
Chemical Name:
Benzamide,2-nitro-N-(4-nitrophenyl)-
CAS Number:
78411-60-6
Molecular Formula:
C13H9N3O5
Molecular Weight:
287.2277
IUPAC Name:
2-nitro-N-(4-nitrophenyl)benzamide
InChI:
InChI=1S/C13H9N3O5/c17-13(11-3-1-2-4-12(11)16(20)21)14-9-5-7-10(8-6-9)15(18)19/h1-8H,(H,14,17)
InChI Key:
HJQUZRLDWPFKFL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.231g/mol
Monoisotopic Mass:
287.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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