Home Amines 1821-27-8
1821-27-8,MFCD00437044
Catalog No.:AA0023AB
1821-27-8 | Benzenamine, 4-nitro-N-(4-nitrophenyl)-
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1g
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0023AB
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
Computed 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  

Synonyms
 
Bis(4-nitrophenyl)amine 
1821-27-8 
EINECS 217-343-9 
ACMC-209eir 
AC1Q1ZFV 
SCHEMBL395942 
AC1L5U98 
CTK4D8073 
DTXSID20171246 
MTWHRQTUBOTQTE-UHFFFAOYSA-N 
ZINC4522652 
ANW-23089 
4,4'-Dinitrodiphenylamine 
MFCD00437044 
NSC 36659 
NSC-36659 
STK258732 
4-Nitro-N-(4-nitrophenyl)aniline # 
4-Nitro-N-(4-nitrophenyl)benzenamine 
AKOS000286144 
ACM1821278 
MCULE-9125322370 
KS-000013D8 
Bis(p-nitrophenyl)amine 
AJ-51486 
AK144211 
TC-111834 
B2960 
FT-0663351 
ST24046179 
SR-01000106615 
SR-01000106615-1 
Diphenylamine,4'-dinitro- 
AR-1I0474 
4-Nitro-N-(4-nitrophenyl)aniline 
C12-H9-N3-O4 
CID235381 
21269-34-1 
BENZENAMINE, 4-NITRO-N-(4-NITROPHENYL)- 
Bis-(4-nitrophenyl)amine 
Benzenamine,4-nitro-N-(4-nitrophenyl)- 
Diphenylamine, 4,4'-dinitro- 
NSC36659 
Literature
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