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Home > Nitro Compounds > 23241-90-9

23241-90-9

23241-90-9 | 1,1'-Biphenyl, 3,3',5,5'-tetranitro-

CAS No: 23241-90-9 Catalog No: AG002MMK MDL No:

Product Description

Catalog Number:
AG002MMK
Chemical Name:
1,1'-Biphenyl, 3,3',5,5'-tetranitro-
CAS Number:
23241-90-9
Molecular Formula:
C12H6N4O8
Molecular Weight:
334.1980
IUPAC Name:
1-(3,5-dinitrophenyl)-3,5-dinitrobenzene
InChI:
InChI=1S/C12H6N4O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H
InChI Key:
SXKSGIFOQJTVSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
441  
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  

Literature

Title Journal
3,3',5,5'-Tetra-nitro-biphen-yl. Acta crystallographica. Section E, Structure reports online 20090501

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