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Home > Nitro Compounds > 35488-92-7
35488-92-7 | 1-(4-nitrophenyl)pyrrolidine-2,5-dione
CAS No: 35488-92-7 Catalog No: AG01AFXP MDL No:MFCD00452868
Product Description
Catalog Number:
AG01AFXP
Chemical Name:
1-(4-nitrophenyl)pyrrolidine-2,5-dione
CAS Number:
35488-92-7
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00452868
IUPAC Name:
1-(4-nitrophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H8N2O4/c13-9-5-6-10(14)11(9)7-1-3-8(4-2-7)12(15)16/h1-4H,5-6H2
InChI Key:
KJFHJBSRNHCDIF-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
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