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Home > Indoles and Oxindole > 1286256-04-9
1286256-04-9 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(3-nitrophenyl)-2-oxoethyl]-
CAS No: 1286256-04-9 Catalog No: AG000Y8U MDL No:
Product Description
Catalog Number:
AG000Y8U
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(3-nitrophenyl)-2-oxoethyl]-
CAS Number:
1286256-04-9
Molecular Formula:
C16H10N2O5
Molecular Weight:
310.2610
IUPAC Name:
2-[2-(3-nitrophenyl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H10N2O5/c19-14(10-4-3-5-11(8-10)18(22)23)9-17-15(20)12-6-1-2-7-13(12)16(17)21/h1-8H,9H2
InChI Key:
YBSQWUGAQJALJS-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.265g/mol
Monoisotopic Mass:
310.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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