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87977-14-8 | Urea, N-(1,6-dihydro-6-oxo-3-pyridazinyl)-N'-ethyl-
CAS No: 87977-14-8 Catalog No: AG004IEN MDL No:
Product Description
Catalog Number:
AG004IEN
Chemical Name:
Urea, N-(1,6-dihydro-6-oxo-3-pyridazinyl)-N'-ethyl-
CAS Number:
87977-14-8
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
IUPAC Name:
1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea
InChI:
InChI=1S/C7H10N4O2/c1-2-8-7(13)9-5-3-4-6(12)11-10-5/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChI Key:
MIFHFFSFLPFYSG-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(=O)[nH]n1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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