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Home > Nitro Compounds > 71742-48-8
71742-48-8 | 2,2',6-TRINITRO-1,1'-BIPHENYL
CAS No: 71742-48-8 Catalog No: AG005QFY MDL No:
Product Description
Catalog Number:
AG005QFY
Chemical Name:
2,2',6-TRINITRO-1,1'-BIPHENYL
CAS Number:
71742-48-8
Molecular Formula:
C12H7N3O6
Molecular Weight:
289.2005
IUPAC Name:
1,3-dinitro-2-(2-nitrophenyl)benzene
InChI:
InChI=1S/C12H7N3O6/c16-13(17)9-5-2-1-4-8(9)12-10(14(18)19)6-3-7-11(12)15(20)21/h1-7H
InChI Key:
XGOGHRLQHPFMSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.203g/mol
Monoisotopic Mass:
289.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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