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Home > Nitro Compounds > 23241-91-0
23241-91-0 | 1,1'-Biphenyl, 2,3',4,5',6-pentanitro-
CAS No: 23241-91-0 Catalog No: AG002MMJ MDL No:
Product Description
Catalog Number:
AG002MMJ
Chemical Name:
1,1'-Biphenyl, 2,3',4,5',6-pentanitro-
CAS Number:
23241-91-0
Molecular Formula:
C12H5N5O10
Molecular Weight:
379.1956
IUPAC Name:
2-(3,5-dinitrophenyl)-1,3,5-trinitrobenzene
InChI:
InChI=1S/C12H5N5O10/c18-13(19)7-1-6(2-8(3-7)14(20)21)12-10(16(24)25)4-9(15(22)23)5-11(12)17(26)27/h1-5H
InChI Key:
NPPQFHZVFAMZEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.004g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.197g/mol
Monoisotopic Mass:
379.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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