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Home > Nitro Compounds > 188895-97-8
188895-97-8 | Benzoic acid, 4,4'-oxybis-, 1,1'-bis(4-nitrophenyl) ester
CAS No: 188895-97-8 Catalog No: AG002HGV MDL No:
Product Description
Catalog Number:
AG002HGV
Chemical Name:
Benzoic acid, 4,4'-oxybis-, 1,1'-bis(4-nitrophenyl) ester
CAS Number:
188895-97-8
Molecular Formula:
C26H16N2O9
Molecular Weight:
500.4132
IUPAC Name:
(4-nitrophenyl) 4-[4-(4-nitrophenoxy)carbonylphenoxy]benzoate
InChI:
InChI=1S/C26H16N2O9/c29-25(36-23-13-5-19(6-14-23)27(31)32)17-1-9-21(10-2-17)35-22-11-3-18(4-12-22)26(30)37-24-15-7-20(8-16-24)28(33)34/h1-16H
InChI Key:
PCZNQQLHQVVBDG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[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:
500.086g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.419g/mol
Monoisotopic Mass:
500.086g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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