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1134-33-4 | Urea, N,N''-1,2-phenylenebis-
CAS No: 1134-33-4 Catalog No: AG0008G5 MDL No:
Product Description
Catalog Number:
AG0008G5
Chemical Name:
Urea, N,N''-1,2-phenylenebis-
CAS Number:
1134-33-4
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
[2-(carbamoylamino)phenyl]urea
InChI:
InChI=1S/C8H10N4O2/c9-7(13)11-5-3-1-2-4-6(5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChI Key:
BQSKIKUCXRZVMV-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccccc1NC(=O)N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts. | Chemical communications (Cambridge, England) 20120804 |
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