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87666-24-8 | Urea, [2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS No: 87666-24-8 Catalog No: AG004KVJ MDL No:
Product Description
Catalog Number:
AG004KVJ
Chemical Name:
Urea, [2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS Number:
87666-24-8
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
IUPAC Name:
2-(6-oxo-3-phenylpyridazin-1-yl)ethylurea
InChI:
InChI=1S/C13H14N4O2/c14-13(19)15-8-9-17-12(18)7-6-11(16-17)10-4-2-1-3-5-10/h1-7H,8-9H2,(H3,14,15,19)
InChI Key:
XTAJDONHUZFDEC-UHFFFAOYSA-N
SMILES:
NC(=O)NCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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