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Home > Nitro Compounds > 123059-16-5
123059-16-5 | 2,4-Cyclopentadien-1-one, 3,4-bis(4-nitrophenyl)-
CAS No: 123059-16-5 Catalog No: AG000K0E MDL No:
Product Description
Catalog Number:
AG000K0E
Chemical Name:
2,4-Cyclopentadien-1-one, 3,4-bis(4-nitrophenyl)-
CAS Number:
123059-16-5
Molecular Formula:
C17H10N2O5
Molecular Weight:
322.2717
IUPAC Name:
3,4-bis(4-nitrophenyl)cyclopenta-2,4-dien-1-one
InChI:
InChI=1S/C17H10N2O5/c20-15-9-16(11-1-5-13(6-2-11)18(21)22)17(10-15)12-3-7-14(8-4-12)19(23)24/h1-10H
InChI Key:
XZUCPVRWXJMGFB-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=C1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.059g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.276g/mol
Monoisotopic Mass:
322.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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