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1234-21-5 | Urea, N,N'-bis(3-nitrophenyl)-
CAS No: 1234-21-5 Catalog No: AG000KIS MDL No:
Product Description
Catalog Number:
AG000KIS
Chemical Name:
Urea, N,N'-bis(3-nitrophenyl)-
CAS Number:
1234-21-5
Molecular Formula:
C13H10N4O5
Molecular Weight:
302.2423
IUPAC Name:
1,3-bis(3-nitrophenyl)urea
InChI:
InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
InChI Key:
LMGCNSZBVIPYHM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
41677
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.246g/mol
Monoisotopic Mass:
302.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Discovery of the first small molecule inhibitor of human DDX3 specifically designed to target the RNA binding site: towards the next generation HIV-1 inhibitors. | Bioorganic & medicinal chemistry letters 20120301 |
| Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth. | Nature chemistry 20101201 |
| 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 |
| Controlling molecular crystal polymorphism with self-assembled monolayer templates. | Journal of the American Chemical Society 20051228 |
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