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Home > Imidazoles > 28997-31-1
28997-31-1 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-
CAS No: 28997-31-1 Catalog No: AG002V59 MDL No:
Product Description
Catalog Number:
AG002V59
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-
CAS Number:
28997-31-1
Molecular Formula:
C14H12N4O4
Molecular Weight:
300.2695
IUPAC Name:
2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N4O4/c1-9-15-8-12(18(21)22)16(9)6-7-17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,8H,6-7H2,1H3
InChI Key:
JIYZWSLKPBBNTE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1CCN1C(=O)c2c(C1=O)cccc2)C
EC Number:
249-362-3
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.274g/mol
Monoisotopic Mass:
300.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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