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Home > Indoles and Oxindole > 66725-23-3
66725-23-3 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(2-nitrophenoxy)propyl]-
CAS No: 66725-23-3 Catalog No: AG006IOF MDL No:
Product Description
Catalog Number:
AG006IOF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(2-nitrophenoxy)propyl]-
CAS Number:
66725-23-3
Molecular Formula:
C17H14N2O5
Molecular Weight:
326.3035
IUPAC Name:
2-[3-(2-nitrophenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H14N2O5/c20-16-12-6-1-2-7-13(12)17(21)18(16)10-5-11-24-15-9-4-3-8-14(15)19(22)23/h1-4,6-9H,5,10-11H2
InChI Key:
UALDHAVULPTRMI-UHFFFAOYSA-N
SMILES:
O=C1N(CCCOc2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.308g/mol
Monoisotopic Mass:
326.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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