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136861-00-2 | [1,1'-Biphenyl]-4-amine, 2,6-dinitro-
CAS No: 136861-00-2 Catalog No: AG0012HC MDL No:
Product Description
Catalog Number:
AG0012HC
Chemical Name:
[1,1'-Biphenyl]-4-amine, 2,6-dinitro-
CAS Number:
136861-00-2
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
IUPAC Name:
3,5-dinitro-4-phenylaniline
InChI:
InChI=1S/C12H9N3O4/c13-9-6-10(14(16)17)12(11(7-9)15(18)19)8-4-2-1-3-5-8/h1-7H,13H2
InChI Key:
SFOZSUOXRHKVCL-UHFFFAOYSA-N
SMILES:
Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
322
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:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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