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Home > Nitro Compounds > 2364-42-3
2364-42-3 | 1,1'-Biphenyl, 3,3',4,4'-tetranitro-
CAS No: 2364-42-3 Catalog No: AG002O06 MDL No:
Product Description
Catalog Number:
AG002O06
Chemical Name:
1,1'-Biphenyl, 3,3',4,4'-tetranitro-
CAS Number:
2364-42-3
Molecular Formula:
C12H6N4O8
Molecular Weight:
334.1980
IUPAC Name:
4-(3,4-dinitrophenyl)-1,2-dinitrobenzene
InChI:
InChI=1S/C12H6N4O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H
InChI Key:
UNKCJDGKXMGEEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.019g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.2g/mol
Monoisotopic Mass:
334.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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