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32451-61-9 | Urea, N-8-quinolinyl-
CAS No: 32451-61-9 Catalog No: AG007G53 MDL No:
Product Description
Catalog Number:
AG007G53
Chemical Name:
Urea, N-8-quinolinyl-
CAS Number:
32451-61-9
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
quinolin-8-ylurea
InChI:
InChI=1S/C10H9N3O/c11-10(14)13-8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,(H3,11,13,14)
InChI Key:
UDOPVQJLNAVEPC-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc2c1nccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea. | Acta crystallographica. Section E, Structure reports online 20120101 |
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