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87977-13-7 | Urea, N-(2-chloroethyl)-N'-[6-(4-morpholinyl)-3-pyridazinyl]-
CAS No: 87977-13-7 Catalog No: AG004OUS MDL No:
Product Description
Catalog Number:
AG004OUS
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[6-(4-morpholinyl)-3-pyridazinyl]-
CAS Number:
87977-13-7
Molecular Formula:
C11H16ClN5O2
Molecular Weight:
285.7300
IUPAC Name:
1-(2-chloroethyl)-3-(6-morpholin-4-ylpyridazin-3-yl)urea
InChI:
InChI=1S/C11H16ClN5O2/c12-3-4-13-11(18)14-9-1-2-10(16-15-9)17-5-7-19-8-6-17/h1-2H,3-8H2,(H2,13,14,15,18)
InChI Key:
CBVBETAHVXRSCJ-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(nn1)N1CCOCC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.732g/mol
Monoisotopic Mass:
285.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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