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Home > Indoles and Oxindole > 114026-04-9
114026-04-9 | 1H-Isoindole-1,3(2H)-dione, 5-(3-nitrophenoxy)-2-phenyl-
CAS No: 114026-04-9 Catalog No: AG000ACY MDL No:
Product Description
Catalog Number:
AG000ACY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-(3-nitrophenoxy)-2-phenyl-
CAS Number:
114026-04-9
Molecular Formula:
C20H12N2O5
Molecular Weight:
360.3197
IUPAC Name:
5-(3-nitrophenoxy)-2-phenylisoindole-1,3-dione
InChI:
InChI=1S/C20H12N2O5/c23-19-17-10-9-16(27-15-8-4-7-14(11-15)22(25)26)12-18(17)20(24)21(19)13-5-2-1-3-6-13/h1-12H
InChI Key:
OTNDWWLVFUEGLJ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1ccccc1)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.075g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.325g/mol
Monoisotopic Mass:
360.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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