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Home > Nitro Compounds > 29128-23-2
29128-23-2 | 1,1'-Biphenyl, 2,4,6-trinitro-
CAS No: 29128-23-2 Catalog No: AG002XFJ MDL No:
Product Description
Catalog Number:
AG002XFJ
Chemical Name:
1,1'-Biphenyl, 2,4,6-trinitro-
CAS Number:
29128-23-2
Molecular Formula:
C12H7N3O6
Molecular Weight:
289.2005
IUPAC Name:
1,3,5-trinitro-2-phenylbenzene
InChI:
InChI=1S/C12H7N3O6/c16-13(17)9-6-10(14(18)19)12(11(7-9)15(20)21)8-4-2-1-3-5-8/h1-7H
InChI Key:
KXXIUGHYTQVIRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
76625
Properties
Complexity:
396
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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