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Home > Nitro Compounds > 26189-46-8
26189-46-8 | Methanone, (oxydi-4,1-phenylene)bis[(4-nitrophenyl)- (9CI)
CAS No: 26189-46-8 Catalog No: AG002S4D MDL No:
Product Description
Catalog Number:
AG002S4D
Chemical Name:
Methanone, (oxydi-4,1-phenylene)bis[(4-nitrophenyl)- (9CI)
CAS Number:
26189-46-8
Molecular Formula:
C26H16N2O7
Molecular Weight:
468.4144
IUPAC Name:
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
InChI:
InChI=1S/C26H16N2O7/c29-25(17-1-9-21(10-2-17)27(31)32)19-5-13-23(14-6-19)35-24-15-7-20(8-16-24)26(30)18-3-11-22(12-4-18)28(33)34/h1-16H
InChI Key:
WILHNSNCNBLELE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.096g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.421g/mol
Monoisotopic Mass:
468.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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