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89047-44-9 | Urea, N-(4-chlorophenyl)-N'-2-quinolinyl-
CAS No: 89047-44-9 Catalog No: AG004320 MDL No:
Product Description
Catalog Number:
AG004320
Chemical Name:
Urea, N-(4-chlorophenyl)-N'-2-quinolinyl-
CAS Number:
89047-44-9
Molecular Formula:
C16H12ClN3O
Molecular Weight:
297.7390
IUPAC Name:
1-(4-chlorophenyl)-3-quinolin-2-ylurea
InChI:
InChI=1S/C16H12ClN3O/c17-12-6-8-13(9-7-12)18-16(21)20-15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H2,18,19,20,21)
InChI Key:
NGKGPOSAWBACIC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(n1)cccc2)Nc1ccc(cc1)Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.742g/mol
Monoisotopic Mass:
297.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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