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Home > Nitro Compounds > 114656-41-6
114656-41-6 | Methanone, bis[4-(4-nitrophenoxy)phenyl]-
CAS No: 114656-41-6 Catalog No: AG000EXQ MDL No:
Product Description
Catalog Number:
AG000EXQ
Chemical Name:
Methanone, bis[4-(4-nitrophenoxy)phenyl]-
CAS Number:
114656-41-6
Molecular Formula:
C25H16N2O7
Molecular Weight:
456.4037
IUPAC Name:
bis[4-(4-nitrophenoxy)phenyl]methanone
InChI:
InChI=1S/C25H16N2O7/c28-25(17-1-9-21(10-2-17)33-23-13-5-19(6-14-23)26(29)30)18-3-11-22(12-4-18)34-24-15-7-20(8-16-24)27(31)32/h1-16H
InChI Key:
PODXGKOHEJNQSQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.096g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.41g/mol
Monoisotopic Mass:
456.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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