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1821-27-8 | Benzenamine, 4-nitro-N-(4-nitrophenyl)-
CAS No: 1821-27-8 Catalog No: AG0023D3 MDL No:MFCD00437044
Product Description
Catalog Number:
AG0023D3
Chemical Name:
Benzenamine, 4-nitro-N-(4-nitrophenyl)-
CAS Number:
1821-27-8
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
MDL Number:
MFCD00437044
IUPAC Name:
4-nitro-N-(4-nitrophenyl)aniline
InChI:
InChI=1S/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H
InChI Key:
MTWHRQTUBOTQTE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
217-343-9
NSC Number:
36659
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.221g/mol
Monoisotopic Mass:
259.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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