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Home > Nitro Compounds > 133339-08-9
133339-08-9 | Methanone, [4-[(3,5-dinitrobenzoyl)oxy]-3-nitrophenyl]phenyl-
CAS No: 133339-08-9 Catalog No: AG0014OX MDL No:
Product Description
Catalog Number:
AG0014OX
Chemical Name:
Methanone, [4-[(3,5-dinitrobenzoyl)oxy]-3-nitrophenyl]phenyl-
CAS Number:
133339-08-9
Molecular Formula:
C20H11N3O9
Molecular Weight:
437.3160
IUPAC Name:
(4-benzoyl-2-nitrophenyl) 3,5-dinitrobenzoate
InChI:
InChI=1S/C20H11N3O9/c24-19(12-4-2-1-3-5-12)13-6-7-18(17(10-13)23(30)31)32-20(25)14-8-15(21(26)27)11-16(9-14)22(28)29/h1-11H
InChI Key:
ILIQTECWWULVHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)c1ccccc1
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.05g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.32g/mol
Monoisotopic Mass:
437.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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