Free Chemical Databases
-
[Synonyms]
NSC303842
78604-32-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 225.67478 [g/mol] Molecular Formula C10H12ClN3O XLogP 2.2 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 5 Tautomer Count 9 Exact Mass 225.06689 MonoIsotopic Mass 225.06689 Topological Polar Surface Area 53.8 Heavy Atom Count 15 Formal Charge 0 Complexity 225 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-[4-(2-(2-chloroethylimino)hydrazinyl)phenyl]ethanone
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NN=NCCCl
InChI: InChI=1/C10H12ClN3O/c1-8(15)9-2-4-10(5-3-9)13-14-12-7-6-11/h2-5H,6-7H2,
1H3,(H,12,13)/f/h13H/b14-12+
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