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140665-20-9 | 1H-Benzimidazole, 4,6-dinitro-1-(2,4,6-trinitrophenyl)-
CAS No: 140665-20-9 Catalog No: AG001CNS MDL No:
Product Description
Catalog Number:
AG001CNS
Chemical Name:
1H-Benzimidazole, 4,6-dinitro-1-(2,4,6-trinitrophenyl)-
CAS Number:
140665-20-9
Molecular Formula:
C13H5N7O10
Molecular Weight:
419.2197
IUPAC Name:
4,6-dinitro-1-(2,4,6-trinitrophenyl)benzimidazole
InChI:
InChI=1S/C13H5N7O10/c21-16(22)6-1-8-12(9(2-6)18(25)26)14-5-15(8)13-10(19(27)28)3-7(17(23)24)4-11(13)20(29)30/h1-5H
InChI Key:
UKVAPBOCPDNWHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])n1cnc2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.01g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.222g/mol
Monoisotopic Mass:
419.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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