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Home > Nitro Compounds > 2000-54-6
2000-54-6 | Urea, N-(3-nitrophenyl)-N'-phenyl-
CAS No: 2000-54-6 Catalog No: AG002CI5 MDL No:MFCD00024333
Product Description
Catalog Number:
AG002CI5
Chemical Name:
Urea, N-(3-nitrophenyl)-N'-phenyl-
CAS Number:
2000-54-6
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD00024333
IUPAC Name:
1-(3-nitrophenyl)-3-phenylurea
InChI:
InChI=1S/C13H11N3O3/c17-13(14-10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)16(18)19/h1-9H,(H2,14,15,17)
InChI Key:
MKGHYUVMRJIWPW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
190522
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Unsymmetrically disubstituted urea derivatives: a potent class of antiglycating agents. | Bioorganic & medicinal chemistry 20090315 |
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