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89736-50-5 | Urea, 4-quinolinyl-
CAS No: 89736-50-5 Catalog No: AG0041P4 MDL No:
Product Description
Catalog Number:
AG0041P4
Chemical Name:
Urea, 4-quinolinyl-
CAS Number:
89736-50-5
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
quinolin-4-ylurea
InChI:
InChI=1S/C10H9N3O/c11-10(14)13-9-5-6-12-8-4-2-1-3-7(8)9/h1-6H,(H3,11,12,13,14)
InChI Key:
PLUYBDWTZPHJJB-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccnc2c1cccc2
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:
-0.5
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